Geometry & MOs

Info

ID:	60756
PubChem CID:	26701842
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	448.109293
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	10.83
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations