Geometry & MOs

Info

ID:

98740

PubChem CID:

50046103

Reduced:

F3O4N5C35H40 (1)

Stoich.:

A3B4C5D35E40 (1)

Weight, g/mol:

687.284396

ΔHf, kcal/mol:

-276.01

Dipole, Da:

8.63

IP(EA), eV:

 -8.99(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)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=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations