Geometry & MOs

Info

ID:

102608

PubChem CID:

50068671

Reduced:

SF2O3N6C26H28 (1)

Stoich.:

AB2C3D6E26F28 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-139.73

Dipole, Da:

7.88

IP(EA), eV:

 -9.09(-1.3)

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-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]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)NC4=NN=C(S4)C

DOS

IR

Vibrations