Geometry & MOs

Info

ID:

110722

PubChem CID:

50337610

Reduced:

FO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

594.316583

ΔHf, kcal/mol:

-197.11

Dipole, Da:

9.72

IP(EA), eV:

 -8.71(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)F)C(=O)N4CCCC4

DOS

IR

Vibrations