Geometry & MOs

Info

ID:	224837
PubChem CID:	85441075
Reduced:	SO2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	2.12
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3CS2

DOS

IR

Vibrations