Geometry & MOs

Info

ID:

106267

PubChem CID:

50155373

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-165.33

Dipole, Da:

8.81

IP(EA), eV:

 -8.86(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations