Geometry & MOs

Info

ID:

118371

PubChem CID:

50639952

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-162.59

Dipole, Da:

4.88

IP(EA), eV:

 -9.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-(diethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations