Geometry & MOs

Info

ID:

227339

PubChem CID:

87561362

Reduced:

N4O5H24C27 (1)

Stoich.:

A4B5C24D27 (1)

Weight, g/mol:

524.20597

ΔHf, kcal/mol:

-63.23

Dipole, Da:

1.34

IP(EA), eV:

 -8.46(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[3-[3-(1,3-dioxol-4-yl)-4-phenylbutan-2-yl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)OCO2)C3=C/C(=C/4\NNC(=O)N4C5=CC6=C(C=C5)N(C=C6)C)/C(=O)C=C3O

DOS

IR

Vibrations