Geometry & MOs

Info

ID:	170174
PubChem CID:	75205100
Reduced:	ClSO2N3H20C23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	20.72
Dipole, Da:	2.9
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations