Geometry & MOs

Info

ID:

432399

PubChem CID:

135172532

Reduced:

O10C37H52 (1)

Stoich.:

A10B37C52 (1)

Weight, g/mol:

676.244393

ΔHf, kcal/mol:

-401.05

Dipole, Da:

9.41

IP(EA), eV:

 -8.84(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-chloro-3-[[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)OCCOC2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O

DOS

IR

Vibrations