Geometry & MOs

Info

ID:

325469

PubChem CID:

126683442

Reduced:

NO2C35H57 (1)

Stoich.:

AB2C35D57 (1)

Weight, g/mol:

606.403273

ΔHf, kcal/mol:

-70.16

Dipole, Da:

6.8

IP(EA), eV:

 -9.54(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-1-[2-[(1R,4bS,8aR,10aS)-6-cyano-1,4b,8,8,10a-pentamethyl-3,7-dioxo-2,8a,9,10-tetrahydrophenanthren-1-yl]ethyl]-2,4,4-trimethylcyclohexyl]methyl morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)(C)CC[C@](C)(CC)CCC(C)(C)[C@@]\1(CC[C@@H]2[C@@](/C1=C/C(=O)C)(C=C(C(=O)C2(C)C)C#N)C)C

DOS

IR

Vibrations