Geometry & MOs

Info

ID:

31993

PubChem CID:

3727078

Reduced:

N2O7C22H26 (1)

Stoich.:

A2B7C22D26 (1)

Weight, g/mol:

472.103729

ΔHf, kcal/mol:

-288.99

Dipole, Da:

6.17

IP(EA), eV:

 -10.3(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-1-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CO)C(=O)O

DOS

IR

Vibrations