Geometry & MOs

Info

ID:

115820

PubChem CID:

50534863

Reduced:

ClF2O4N5C28H34 (1)

Stoich.:

AB2C4D5E28F34 (1)

Weight, g/mol:

645.17174

ΔHf, kcal/mol:

-252.96

Dipole, Da:

4.85

IP(EA), eV:

 -9.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)F)F)Cl

DOS

IR

Vibrations