Geometry & MOs

Info

ID:	309718
PubChem CID:	126556030
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	528.144296
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	0.43
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=S)N/C=C\2/CCCNC3=CC=CC=C23

DOS

IR

Vibrations