Geometry & MOs

Info

ID:	217534
PubChem CID:	85087959
Reduced:	SO4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	5.64
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C=CC=C)OCC2=CC=CC=C2

DOS

IR

Vibrations