Geometry & MOs

Info

ID:	441484
PubChem CID:	135235297
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	449.113331
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	2.87
IP(EA), eV:	-8.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylsulfonyl-1-methyl-2-phenylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)CCNC(=O)CNC=O)C3=CC=CC=C3

DOS

IR

Vibrations