Geometry & MOs

Info

ID:	77672
PubChem CID:	49658623
Reduced:	SO3N4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	474.152575
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	8.05
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations