Geometry & MOs

Info

ID:	14221
PubChem CID:	406770
Reduced:	SO2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	358.196651
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	4.12
IP(EA), eV:	-8.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,7-trimethyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methylsulfanylmethylidene]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2=CSC=C3C4CCC(C3=O)(C4(C)C)C)C)C

DOS

IR

Vibrations