Geometry & MOs

Info

ID:

111975

PubChem CID:

50389724

Reduced:

O4N5C30H39 (1)

Stoich.:

A4B5C30D39 (1)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-171.75

Dipole, Da:

6.36

IP(EA), eV:

 -8.6(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)NC(=O)C

DOS

IR

Vibrations