Geometry & MOs

Info

ID:	32988
PubChem CID:	7849985
Reduced:	NSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	403.072573
ΔH_f, kcal/mol:	-205.47
Dipole, Da:	7.5
IP(EA), eV:	-9.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N2CCCCC2

DOS

IR

Vibrations