Geometry & MOs

Info

ID:

98931

PubChem CID:

50047457

Reduced:

FSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-155.29

Dipole, Da:

6.63

IP(EA), eV:

 -8.98(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-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=CC(=C4)F)C)C

DOS

IR

Vibrations