Geometry & MOs

Info

ID:

111113

PubChem CID:

50352346

Reduced:

FO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-261.7

Dipole, Da:

7.03

IP(EA), eV:

 -8.56(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations