Geometry & MOs

Info

ID:	196247
PubChem CID:	78802988
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	405.068068
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	3.96
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)NCCOC1=CC=C(C=C1)Cl

DOS

IR

Vibrations