Geometry & MOs

Info

ID:	146936
PubChem CID:	53774440
Reduced:	ClN2O3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	326.043522
ΔH_f, kcal/mol:	-72.07
Dipole, Da:	2.62
IP(EA), eV:	-8.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-oxo-2,3-dihydroinden-5-yl)disulfanyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CNC(=O)N(CCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCl)CC3=CC=CC=C3

DOS

IR

Vibrations