Geometry & MOs

Info

ID:	77690
PubChem CID:	49658646
Reduced:	SF2O2N4H20C25 (1)
Stoich.:	AB2C2D4E20F25 (1)
Weight, g/mol:	474.152575
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	1.69
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations