Geometry & MOs

Info

ID:	193164
PubChem CID:	78351423
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	4.89
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]oxazine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

DOS

IR

Vibrations