Geometry & MOs

Info

ID:

105875

PubChem CID:

50140473

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-239.29

Dipole, Da:

8.31

IP(EA), eV:

 -8.86(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methoxy-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)OC

DOS

IR

Vibrations