Geometry & MOs

Info

ID:

315545

PubChem CID:

126627531

Reduced:

N4O4C33H34 (1)

Stoich.:

A4B4C33D34 (1)

Weight, g/mol:

500.242356

ΔHf, kcal/mol:

-41.1

Dipole, Da:

8.64

IP(EA), eV:

 -8.65(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[4-[4-[4-(4-aminophenyl)-1-methylpyrrol-2-yl]-4-oxobutyl]-1-methylpyrrole-2-carbonyl]amino]-5-methylcyclopenta-1,3-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3=CC=CC(=C3)C4=C(C=CC(=C4)C#N)O)C(=C1CC(=O)OC)N5CCC(CC5)(C)OCC=C

DOS

IR

Vibrations