Geometry & MOs

Info

ID:	61419
PubChem CID:	26709119
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	467.199111
ΔH_f, kcal/mol:	36.89
Dipole, Da:	3.67
IP(EA), eV:	-8.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations