Geometry & MOs

Info

ID:

336630

PubChem CID:

127255637

Reduced:

O3C27H44 (1)

Stoich.:

A3B27C44 (1)

Weight, g/mol:

575.372307

ΔHf, kcal/mol:

-181.16

Dipole, Da:

1.54

IP(EA), eV:

 -8.65(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,7S,10R,13R,14R)-7-[(3S,5S)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations