Geometry & MOs

Info

ID:	242992
PubChem CID:	99214899
Reduced:	SN2O6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	5.18
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenoxy)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations