Geometry & MOs

Info

ID:	73243
PubChem CID:	48417264
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	299.047696
ΔH_f, kcal/mol:	0.16
Dipole, Da:	4.9
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)N2C(=C(C=N2)C#N)N)C(C)C

DOS

IR

Vibrations