Geometry & MOs

Info

ID:

104919

PubChem CID:

50105942

Reduced:

F2N5O5C36H43 (1)

Stoich.:

A2B5C5D36E43 (1)

Weight, g/mol:

679.31814

ΔHf, kcal/mol:

-276.08

Dipole, Da:

8.47

IP(EA), eV:

 -8.59(-0.72)

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-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations