Geometry & MOs

Info

ID:	71511
PubChem CID:	48414978
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	383.10704
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	6.8
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations