Geometry & MOs

Info

ID:

115800

PubChem CID:

50534463

Reduced:

ClN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-202.66

Dipole, Da:

2.89

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)C)Cl

DOS

IR

Vibrations