Geometry & MOs

Info

ID:	62218
PubChem CID:	26718327
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	489.092533
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	5.04
IP(EA), eV:	-8.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C/C(=O)NC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations