Geometry & MOs

Info

ID:

409806

PubChem CID:

135082592

Reduced:

SSeC15H19 (2)

Stoich.:

ABC15D19 (2)

Weight, g/mol:

488.204633

ΔHf, kcal/mol:

80.93

Dipole, Da:

5.26

IP(EA), eV:

 -7.89(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]oxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCS/C(=C(\C1=CC=CC=C1)/CC=C)/[Se][Se]/C(=C(/C2=CC=CC=C2)\CC=C)/SCCCC

DOS

IR

Vibrations