Geometry & MOs

Info

ID:	206274
PubChem CID:	80225527
Reduced:	ClSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	9.39
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-2-methylphenyl)sulfonyl-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations