Geometry & MOs

Info

ID:

304357

PubChem CID:

124558529

Reduced:

ClN2O4H27C34 (1)

Stoich.:

AB2C4D27E34 (1)

Weight, g/mol:

555.215806

ΔHf, kcal/mol:

-4.21

Dipole, Da:

2.75

IP(EA), eV:

 -9.18(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[(Z)-[(15S,19S)-17-(4-methylphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]acetamide

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=CC=CC=C7Cl

DOS

IR

Vibrations