Geometry & MOs

Info

ID:

95793

PubChem CID:

50014854

Reduced:

BrO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-166.73

Dipole, Da:

10.32

IP(EA), eV:

 -8.9(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations