Geometry & MOs

Info

ID:

93162

PubChem CID:

49992072

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-242.87

Dipole, Da:

6.25

IP(EA), eV:

 -8.93(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations