Geometry & MOs

Info

ID:	311707
PubChem CID:	126596899
Reduced:	ClFO4N6H24C30 (1)
Stoich.:	ABC4D6E24F30 (1)
Weight, g/mol:	639.09357
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	12.13
IP(EA), eV:	-9.59(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-(6-bromo-3-chloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-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

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4C(=O)C=C(C=N4)C5=C(C=CC(=C5F)Cl)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

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4C(=O)C=C(C=N4)C5=C(C=CC(=C5F)Cl)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):