Geometry & MOs

Info

ID:

107001

PubChem CID:

50185358

Reduced:

FN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

585.276276

ΔHf, kcal/mol:

-245.88

Dipole, Da:

8.83

IP(EA), eV:

 -8.42(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)F

DOS

IR

Vibrations