Geometry & MOs

Info

ID:	397387
PubChem CID:	135030145
Reduced:	SN2O3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	324.056863
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	4.03
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-2-iminospiro[1,3-oxathiolane-5,3'-1H-indole]-2'-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(C2(C3=CC=CC=C3NC2=O)O)SC#N

DOS

IR

Vibrations