Geometry & MOs

Info

ID:

90509

PubChem CID:

49970086

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-226.88

Dipole, Da:

2.26

IP(EA), eV:

 -8.78(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCCCC6)C

DOS

IR

Vibrations