Geometry & MOs

Info

ID:	77687
PubChem CID:	49658640
Reduced:	O2S2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	490.14749
ΔH_f, kcal/mol:	20.81
Dipole, Da:	3.28
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations