Geometry & MOs

Info

ID:

116825

PubChem CID:

50576816

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-194.81

Dipole, Da:

7.35

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-(2-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)Cl)Cl

DOS

IR

Vibrations