Geometry & MOs

Info

ID:	224652
PubChem CID:	85345631
Reduced:	SO4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-161.69
Dipole, Da:	7.17
IP(EA), eV:	-10.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione

Drug info:

PubChemData

Smile

C1CCC2COC(OCC2C1)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations