Geometry & MOs

Info

ID:

106526

PubChem CID:

50166514

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-216.41

Dipole, Da:

11.46

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations