Geometry & MOs

Info

ID:

120558

PubChem CID:

50733857

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-236.18

Dipole, Da:

6.81

IP(EA), eV:

 -8.67(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)NC4CCCCC4)C

DOS

IR

Vibrations