Geometry & MOs

Info

ID:	133935
PubChem CID:	51616424
Reduced:	SO3N4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	486.172562
ΔH_f, kcal/mol:	-122.68
Dipole, Da:	6.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801363
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-4-[[(2R)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=[N+](C(=C(N2)C)C)C3CCCCC3

DOS

IR

Vibrations