Geometry & MOs

Info

ID:	71775
PubChem CID:	48415366
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	60.5
Dipole, Da:	3.85
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations