Geometry & MOs

Info

ID:	71277
PubChem CID:	48414560
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	4.25
Dipole, Da:	0.68
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations