Geometry & MOs

Info

ID:	121996
PubChem CID:	50789083
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	474.152575
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	4.3
IP(EA), eV:	-9.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CNC(=O)N1CCCC(C1)C2=CC(=CC=C2)C(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations