Geometry & MOs

Info

ID:

105171

PubChem CID:

50106540

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-146.9

Dipole, Da:

7.88

IP(EA), eV:

 -8.63(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-methyl-3-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C)C

DOS

IR

Vibrations