Geometry & MOs

Info

ID:

96812

PubChem CID:

50024638

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-225.6

Dipole, Da:

4.08

IP(EA), eV:

 -8.75(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-methoxybenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations