Geometry & MOs

Info

ID:	50683
PubChem CID:	12013260
Reduced:	S2O3H8C14 (1)
Stoich.:	A2B3C8D14 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	6.02
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-9-benzylimino-4-methyl-2-prop-2-enyl-2-azaspiro[4.4]nonan-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C(C(=C(O2)C3=CC=CS3)C=O)C=O

DOS

IR

Vibrations