Geometry & MOs

Info

ID:

119427

PubChem CID:

50684478

Reduced:

Cl2O5N6C32H38 (1)

Stoich.:

A2B5C6D32E38 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-207.3

Dipole, Da:

11.23

IP(EA), eV:

 -9.15(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N

DOS

IR

Vibrations