Geometry & MOs

Info

ID:

97484

PubChem CID:

50032089

Reduced:

Cl2F2O3N4H26C28 (1)

Stoich.:

A2B2C3D4E26F28 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-173.56

Dipole, Da:

9.39

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations