Geometry & MOs

Info

ID:	28570
PubChem CID:	828406
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	250.062994
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	4.18
IP(EA), eV:	-8.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'R)-3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC(=O)NC(=C2C#N)SCC(=O)N)OC

DOS

IR

Vibrations