Geometry & MOs

Info

ID:

118518

PubChem CID:

50645142

Reduced:

ClN6O6C31H41 (1)

Stoich.:

AB6C6D31E41 (1)

Weight, g/mol:

595.151988

ΔHf, kcal/mol:

-256.22

Dipole, Da:

7.01

IP(EA), eV:

 -8.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(3,4-dichloroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations