Geometry & MOs

Info

ID:

159610

PubChem CID:

57288531

Reduced:

NO5C32H51 (1)

Stoich.:

AB5C32D51 (1)

Weight, g/mol:

533.296423

ΔHf, kcal/mol:

-261.26

Dipole, Da:

4.96

IP(EA), eV:

 -8.85(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3S,4aS,7S,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCC1CC(C1(C)C)CC(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)CC3CC(C3(C)C)CC

DOS

IR

Vibrations