Geometry & MOs

Info

ID:	62205
PubChem CID:	26718154
Reduced:	SN2O4H26C27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	418.098728
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	3.53
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations