Geometry & MOs

Info

ID:	224325
PubChem CID:	85341634
Reduced:	SO4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	326.15518
ΔH_f, kcal/mol:	-179.14
Dipole, Da:	4.63
IP(EA), eV:	-9.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfanylmethylidene]butanedioate

Drug info:

PubChemData

Smile

CC=CC(C)CCCC(COS(=O)(=O)C1=CC=C(C=C1)C)O

DOS

IR

Vibrations