Geometry & MOs

Info

ID:	77666
PubChem CID:	49658611
Reduced:	FSO2N4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	494.097953
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	3.4
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations