Geometry & MOs

Info

ID:	400097
PubChem CID:	135045418
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	6.43
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-phenyloxazinan-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC=C=C)C(C)C

DOS

IR

Vibrations