Geometry & MOs

Info

ID:	206272
PubChem CID:	80225525
Reduced:	ClSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	10.81
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4-methylphenyl)sulfonyl-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1S(=O)(=O)C2=C(C=C(C=C2)N)Cl)C)C

DOS

IR

Vibrations