Geometry & MOs

Info

ID:	311702
PubChem CID:	126596894
Reduced:	FO5N6H31C34 (1)
Stoich.:	AB5C6D31E34 (1)
Weight, g/mol:	628.170032
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	7.14
IP(EA), eV:	-8.91(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]carbamic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1CCC[C@@H](C2=NC(=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)OC)N4CCC(=CC4=O)C5=C(C=CC(=C5F)C#N)C#N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1CCC[C@@H](C2=NC(=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)OC)N4CCC(=CC4=O)C5=C(C=CC(=C5F)C#N)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):