Geometry & MOs

Info

ID:	20361
PubChem CID:	583324
Reduced:	NSO4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	315.056529
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	8.99
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3OC2=O

DOS

IR

Vibrations