Geometry & MOs

Info

ID:	366121
PubChem CID:	127319482
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	6.86
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations