Geometry & MOs

Info

ID:

110692

PubChem CID:

50336171

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-224.83

Dipole, Da:

5.21

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations