Geometry & MOs

Info

ID:

98809

PubChem CID:

50046467

Reduced:

SF2O4N7C28H31 (1)

Stoich.:

AB2C4D7E28F31 (1)

Weight, g/mol:

617.206145

ΔHf, kcal/mol:

-178.52

Dipole, Da:

9.13

IP(EA), eV:

 -9.23(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]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=CC=C4F)F)C

DOS

IR

Vibrations