Geometry & MOs

Info

ID:	61767
PubChem CID:	26712700
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	5.33
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(diethylcarbamoyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations