Geometry & MOs

Info

ID:

101330

PubChem CID:

50064592

Reduced:

F3O4N5C31H32 (1)

Stoich.:

A3B4C5D31E32 (1)

Weight, g/mol:

613.231217

ΔHf, kcal/mol:

-250.63

Dipole, Da:

11.7

IP(EA), eV:

 -8.67(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations