Geometry & MOs

Info

ID:	77678
PubChem CID:	49658630
Reduced:	S2O3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	466.093346
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	5.75
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations