Geometry & MOs

Info

ID:	344212
PubChem CID:	127267388
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	401.08122
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	4.63
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations