Geometry & MOs

Info

ID:

112557

PubChem CID:

50411598

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

538.219175

ΔHf, kcal/mol:

-186.76

Dipole, Da:

6.77

IP(EA), eV:

 -8.73(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations