Geometry & MOs

Info

ID:	77665
PubChem CID:	49658610
Reduced:	SO3N4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	460.136925
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	3.99
IP(EA), eV:	-8.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations