Geometry & MOs

Info

ID:

94205

PubChem CID:

49999024

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-228.54

Dipole, Da:

13.13

IP(EA), eV:

 -9.0(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-6-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations