Geometry & MOs

Info

ID:

97052

PubChem CID:

50027293

Reduced:

F2N5O5C32H35 (1)

Stoich.:

A2B5C5D32E35 (1)

Weight, g/mol:

593.244976

ΔHf, kcal/mol:

-251.86

Dipole, Da:

9.18

IP(EA), eV:

 -8.27(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)OC

DOS

IR

Vibrations