Geometry & MOs

Info

ID:

119996

PubChem CID:

50710766

Reduced:

Cl2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-172.13

Dipole, Da:

8.5

IP(EA), eV:

 -8.81(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations