Geometry & MOs

Info

ID:	234018
PubChem CID:	92297545
Reduced:	ClN2O5H11C17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	5.16
IP(EA), eV:	-9.7(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS)-2-methyl-7-phenyl-4-sulfanylidene-3,3a-dihydro-2H-furo[3,2-c]pyridin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=N/C(=C/C3=CC=CC=C3Cl)/C(=O)O2)[N+](=O)[O-]

DOS

IR

Vibrations