Geometry & MOs

Info

ID:

214719

PubChem CID:

85083477

Reduced:

NO8C34H35 (1)

Stoich.:

AB8C34D35 (1)

Weight, g/mol:

585.226371

ΔHf, kcal/mol:

-271.64

Dipole, Da:

4.19

IP(EA), eV:

 -8.25(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-ethyl-20-(hydroxymethyl)-10-[(4-phenylphenyl)methoxyiminomethyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC1=COC2=C(C=C3C(=C12)C(CN3C(=O)OC(C)(C)C)COC(=O)C(C4=CC=CC=C4)OC(=O)C)OCC5=CC=CC=C5

DOS

IR

Vibrations