Geometry & MOs

Info

ID:	324302
PubChem CID:	126677387
Reduced:	SN2O6C16H23 (1)
Stoich.:	AB2C6D16E23 (1)
Weight, g/mol:	338.103335
ΔH_f, kcal/mol:	-177.26
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.773583
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorocyclohexa-1,3-dien-1-yl)methyl]-N-hydroxy-3-oxo-4a,7,8,8a-tetrahydro-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)S(=O)[O-])CN2C3=C(CCC(C3)C(=O)NO)OCC2=O

DOS

IR

Vibrations