Geometry & MOs

Info

ID:

94430

PubChem CID:

50000997

Reduced:

ClO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

575.271939

ΔHf, kcal/mol:

-211.57

Dipole, Da:

4.86

IP(EA), eV:

 -8.4(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6C)Cl

DOS

IR

Vibrations