Geometry & MOs

Info

ID:

101499

PubChem CID:

50064769

Reduced:

ClF4O4N5C32H32 (1)

Stoich.:

AB4C4D5E32F32 (1)

Weight, g/mol:

643.241782

ΔHf, kcal/mol:

-331.67

Dipole, Da:

8.53

IP(EA), eV:

 -8.75(-1.2)

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-(trifluoromethoxy)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)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations