Geometry & MOs

Info

ID:	361099
PubChem CID:	127302015
Reduced:	O3N7C16H25 (1)
Stoich.:	A3B7C16D25 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	4.52
IP(EA), eV:	-8.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

DOS

IR

Vibrations