Geometry & MOs

Info

ID:	37742
PubChem CID:	8023974
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	2.22
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2[C@@H]1NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4

DOS

IR

Vibrations