Geometry & MOs

Info

ID:

105135

PubChem CID:

50106457

Reduced:

FN4O5C31H35 (1)

Stoich.:

AB4C5D31E35 (1)

Weight, g/mol:

570.225403

ΔHf, kcal/mol:

-204.1

Dipole, Da:

7.08

IP(EA), eV:

 -8.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations