Geometry & MOs

Info

ID:

114748

PubChem CID:

50495456

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

669.293817

ΔHf, kcal/mol:

-222.02

Dipole, Da:

5.56

IP(EA), eV:

 -9.05(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC(C)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations