Geometry & MOs

Info

ID:	442600
PubChem CID:	135253245
Reduced:	ClSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	500.172752
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	6.07
IP(EA), eV:	-8.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3C4CCS(=O)(=O)CC4)C

DOS

IR

Vibrations