Geometry & MOs

Info

ID:

186455

PubChem CID:

77435577

Reduced:

NO5C34H47 (1)

Stoich.:

AB5C34D47 (1)

Weight, g/mol:

605.465539

ΔHf, kcal/mol:

-217.09

Dipole, Da:

6.56

IP(EA), eV:

 -9.35(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[2-(1-acetyloxy-2-hydroxy-2-methylpropyl)-4,4b,8a-trimethyl-2,3,4,4a,5,6,7,8,9,9a-decahydroindeno[2,1-b]pyran-8-yl]ethyl]-2,2,4-trimethylcyclohexyl] 2-(dimethylamino)acetate

Drug info:

PubChemData

Smile

CC=C1C2CCC3C4(C(C5C(C4(CCC36C2(C6)CCC1O)C)CCC(O5)C(C(=O)NCC7=CC=CC=C7)O)O)C

DOS

IR

Vibrations