Geometry & MOs

Info

ID:

97011

PubChem CID:

50026836

Reduced:

SF2O4N7C28H31 (1)

Stoich.:

AB2C4D7E28F31 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-186.07

Dipole, Da:

9.24

IP(EA), eV:

 -9.04(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations