Geometry & MOs

Info

ID:

112195

PubChem CID:

50398191

Reduced:

FO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-291.15

Dipole, Da:

5.18

IP(EA), eV:

 -8.77(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations