Geometry & MOs

Info

ID:	136263
PubChem CID:	52009255
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.98
IP(EA), eV:	-8.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidophenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@]2(C(=O)N(C3=CC=CC=C3S2)C)C

DOS

IR

Vibrations