Geometry & MOs

Info

ID:

103932

PubChem CID:

50085874

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-240.29

Dipole, Da:

16.27

IP(EA), eV:

 -8.79(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5CCCCC5

DOS

IR

Vibrations