Geometry & MOs

Info

ID:

92838

PubChem CID:

49989828

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-230.05

Dipole, Da:

10.14

IP(EA), eV:

 -8.74(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations