Geometry & MOs

Info

ID:

304355

PubChem CID:

124558521

Reduced:

ClSN2O7H27C31 (1)

Stoich.:

ABC2D7E27F31 (1)

Weight, g/mol:

596.126963

ΔHf, kcal/mol:

-184.48

Dipole, Da:

3.29

IP(EA), eV:

 -8.9(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R,19S)-17-[(Z)-[4-[(2,4-dichlorophenyl)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

CCOC(=O)C1=C(N=C2N([C@H]1C3=CC=CC4=CC=CC=C43)C(=O)/C(=C\C5=CC(=C(C(=C5)Cl)OCC(=O)OC)OC)/S2)C

DOS

IR

Vibrations