Geometry & MOs

Info

ID:	73024
PubChem CID:	48416825
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	283.070539
ΔH_f, kcal/mol:	20.09
Dipole, Da:	7.06
IP(EA), eV:	-9.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)NC(=O)C2=CC=CS2

DOS

IR

Vibrations