Geometry & MOs

Info

ID:	77679
PubChem CID:	49658631
Reduced:	FO2S2N4H19C23 (1)
Stoich.:	AB2C2D4E19F23 (1)
Weight, g/mol:	466.093346
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	2.89
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations