Geometry & MOs

Info

ID:

97945

PubChem CID:

50037009

Reduced:

F2N5O6C34H39 (1)

Stoich.:

A2B5C6D34E39 (1)

Weight, g/mol:

788.330931

ΔHf, kcal/mol:

-291.03

Dipole, Da:

9.34

IP(EA), eV:

 -8.85(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations