Geometry & MOs

Info

ID:

111045

PubChem CID:

50349720

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-197.29

Dipole, Da:

3.99

IP(EA), eV:

 -8.32(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations