Geometry & MOs

Info

ID:	36006
PubChem CID:	7980631
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	4.36
IP(EA), eV:	-8.66(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3)C#N

DOS

IR

Vibrations