Geometry & MOs

Info

ID:	235375
PubChem CID:	92310285
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	404.122835
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	8.69
IP(EA), eV:	-8.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-acetyl-2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)S[C@@H](CN3C(=O)C)C

DOS

IR

Vibrations