Geometry & MOs

Info

ID:

18817

PubChem CID:

548666

Reduced:

O5N7C35H35 (1)

Stoich.:

A5B7C35D35 (1)

Weight, g/mol:

633.269967

ΔHf, kcal/mol:

-56.34

Dipole, Da:

5.75

IP(EA), eV:

 -9.08(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C(C#N)C#N)C)CCC(=O)OC)C(=O)C)C)C=C(C#N)C#N

DOS

IR

Vibrations