Geometry & MOs

Info

ID:	193101
PubChem CID:	78343956
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	483.182792
ΔH_f, kcal/mol:	39.28
Dipole, Da:	3.58
IP(EA), eV:	-9.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methylidene]-N-(3-morpholin-4-ylpropyl)-3-oxo-8aH-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC2C(=O)NC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations