Geometry & MOs

Info

ID:

110732

PubChem CID:

50338268

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-179.33

Dipole, Da:

3.29

IP(EA), eV:

 -8.67(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations