Geometry & MOs

Info

ID:	56085
PubChem CID:	17404313
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	4.42
IP(EA), eV:	-8.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations