Geometry & MOs

Info

ID:	317757
PubChem CID:	126645685
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	246.064057
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	3.43
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-oxo-4-prop-2-ynyl-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1CN2CCOC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations