Geometry & MOs

Info

ID:

92822

PubChem CID:

49989729

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-229.15

Dipole, Da:

7.89

IP(EA), eV:

 -8.81(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations