Geometry & MOs

Info

ID:

113888

PubChem CID:

50462854

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-223.85

Dipole, Da:

12.96

IP(EA), eV:

 -8.89(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations