Geometry & MOs

Info

ID:

95245

PubChem CID:

50007445

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

563.234411

ΔHf, kcal/mol:

-223.63

Dipole, Da:

7.13

IP(EA), eV:

 -9.04(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations