Geometry & MOs

Info

ID:	259667
PubChem CID:	103171247
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	5.87
IP(EA), eV:	-8.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)S(=O)(=O)NCC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations