Geometry & MOs

Info

ID:

119048

PubChem CID:

50668640

Reduced:

ClN4O4C26H33 (1)

Stoich.:

AB4C4D26E33 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-142.58

Dipole, Da:

7.96

IP(EA), eV:

 -8.39(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-3-oxopropyl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations