Geometry & MOs

Info

ID:	218198
PubChem CID:	85089019
Reduced:	SN2O2C26H34 (1)
Stoich.:	AB2C2D26E34 (1)
Weight, g/mol:	438.334525
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	7.84
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCN(CC(C)C)C1CCC2=C(C1)C3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations