Geometry & MOs

Info

ID:	162648
PubChem CID:	57410906
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	494.243024
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	3.02
IP(EA), eV:	-8.92(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3S)-3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-3-(2-methylpyridin-4-yl)-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCSC1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations