Geometry & MOs

Info

ID:

105876

PubChem CID:

50140474

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-241.59

Dipole, Da:

10.27

IP(EA), eV:

 -8.57(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methoxy-5-(4-methylpiperidine-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)N4CCCCC4)OC

DOS

IR

Vibrations