Geometry & MOs

Info

ID:	363621
PubChem CID:	127311722
Reduced:	SO4N5C15H29 (1)
Stoich.:	AB4C5D15E29 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)sulfonyl-N-[2-[cyclopropyl(methyl)amino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2)C3CC3

DOS

IR

Vibrations