Geometry & MOs

Info

ID:

112157

PubChem CID:

50397663

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-232.17

Dipole, Da:

10.08

IP(EA), eV:

 -8.77(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCCC5)C(=O)NC6CCCCC6

DOS

IR

Vibrations