Geometry & MOs

Info

ID:

105684

PubChem CID:

50139211

Reduced:

O4F5N5H30C31 (1)

Stoich.:

A4B5C5D30E31 (1)

Weight, g/mol:

645.237445

ΔHf, kcal/mol:

-336.27

Dipole, Da:

5.38

IP(EA), eV:

 -9.22(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)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)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations