Geometry & MOs

Info

ID:

101497

PubChem CID:

50064767

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

627.246867

ΔHf, kcal/mol:

-214.78

Dipole, Da:

10.75

IP(EA), eV:

 -8.78(-0.43)

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-[4-(trifluoromethyl)anilino]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)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations