Geometry & MOs

Info

ID:	41783
PubChem CID:	8147108
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	348.060235
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	6.7
IP(EA), eV:	-8.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CN(CCC2=C1)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)OCC

DOS

IR

Vibrations