Geometry & MOs

Info

ID:

105868

PubChem CID:

50140457

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-210.9

Dipole, Da:

7.98

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-(3-methylpiperidine-1-carbonyl)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=CC=C(C=C3)C(=O)NC(C)C

DOS

IR

Vibrations