Geometry & MOs

Info

ID:

115954

PubChem CID:

50541037

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-264.28

Dipole, Da:

4.02

IP(EA), eV:

 -8.92(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(3-methylpiperidine-1-carbonyl)phenyl]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)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations