Geometry & MOs

Info

ID:	432392
PubChem CID:	135172525
Reduced:	SC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	555.180395
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	1.71
IP(EA), eV:	-8.51(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C(/C)\S)/C(=C)CC(C)(C)C

DOS

IR

Vibrations