Geometry & MOs

Info

ID:

105676

PubChem CID:

50135681

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-226.62

Dipole, Da:

7.7

IP(EA), eV:

 -8.98(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations