Geometry & MOs

Info

ID:

120269

PubChem CID:

50720519

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

589.245582

ΔHf, kcal/mol:

-256.39

Dipole, Da:

6.91

IP(EA), eV:

 -8.74(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations