Geometry & MOs

Info

ID:	221901
PubChem CID:	85292488
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	366.168723
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	2.28
IP(EA), eV:	-9.24(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl)methyldisulfanyl]methyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(=C)C(CCC2=O)(C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations