Geometry & MOs

Info

ID:	136031
PubChem CID:	51968907
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	9.85
IP(EA), eV:	-8.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@@H](C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations