Geometry & MOs

Info

ID:	346169
PubChem CID:	127270657
Reduced:	SO4N5C17H29 (1)
Stoich.:	AB4C5D17E29 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	0.32
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C)C3CC3

DOS

IR

Vibrations