Geometry & MOs

Info

ID:

90104

PubChem CID:

49966443

Reduced:

N3O3C20H27 (2)

Stoich.:

A3B3C20D27 (2)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-250.14

Dipole, Da:

7.22

IP(EA), eV:

 -8.79(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)OC

DOS

IR

Vibrations