Geometry & MOs

Info

ID:

62932

PubChem CID:

26737684

Reduced:

NO4H25C28 (1)

Stoich.:

AB4C25D28 (1)

Weight, g/mol:

439.178358

ΔHf, kcal/mol:

-102.11

Dipole, Da:

1.65

IP(EA), eV:

 -8.55(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,19R)-17-(4-ethoxyphenyl)-1-[(1R)-1-hydroxyethyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[C@@H](C)O

DOS

IR

Vibrations