Geometry & MOs

Info

ID:

111625

PubChem CID:

50375773

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-221.46

Dipole, Da:

5.41

IP(EA), eV:

 -8.85(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations