Geometry & MOs

Info

ID:

91117

PubChem CID:

49973410

Reduced:

N6O7C40H48 (1)

Stoich.:

A6B7C40D48 (1)

Weight, g/mol:

726.354111

ΔHf, kcal/mol:

-243.45

Dipole, Da:

16.5

IP(EA), eV:

 -8.44(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylphenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations