Geometry & MOs

Info

ID:

83336

PubChem CID:

49857464

Reduced:

ClNO6C21H26 (1)

Stoich.:

ABC6D21E26 (1)

Weight, g/mol:

389.183838

ΔHf, kcal/mol:

-214.01

Dipole, Da:

2.73

IP(EA), eV:

 -9.12(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[(3aR,4R,4aR,7aR,8aS)-2,2,5-trimethyl-3a,4,4a,6,7,7a,8,8a-octahydro-[1,3]dioxolo[4,5-f]indol-4-yl]-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2C[C@H](C=C([C@H]2O1)C3=CC4=C(C=C3C(=O)OC)OCO4)CCN(C)Cl)C

DOS

IR

Vibrations