Geometry & MOs

Info

ID:	196291
PubChem CID:	78805380
Reduced:	NOC4H6 (4)
Stoich.:	ABC4D6 (4)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	8.37
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations