Geometry & MOs

Info

ID:	191057
PubChem CID:	78099880
Reduced:	O3C6H11 (2)
Stoich.:	A3B6C11 (2)
Weight, g/mol:	709.1475
ΔH_f, kcal/mol:	-294.96
Dipole, Da:	5.47
IP(EA), eV:	-10.08(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[14-[4-(3-chloro-2,6-difluorophenyl)-2-oxo-1,3-diazinan-1-yl]-17-cyano-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15-hexaen-5-yl]carbamate;2,2,2-trifluoroacetic acid

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

CC1C(CC(C(O1)OC(C)CCCC(=O)O)O)O

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

CC1C(CC(C(O1)OC(C)CCCC(=O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):