Geometry & MOs

Info

ID:

304356

PubChem CID:

124558522

Reduced:

ClNO2H13C17 (2)

Stoich.:

ABC2D13E17 (2)

Weight, g/mol:

562.165935

ΔHf, kcal/mol:

-41.36

Dipole, Da:

2.81

IP(EA), eV:

 -9.22(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,19S)-17-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-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=C(C=CC(=C1)/C=N\N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)OCC7=C(C=C(C=C7)Cl)Cl

DOS

IR

Vibrations