Geometry & MOs

Info

ID:	149631
PubChem CID:	53789305
Reduced:	FNOC27H38 (1)
Stoich.:	ABCD27E38 (1)
Weight, g/mol:	455.372307
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(4S,5S)-5-hydroxy-2-methylundecan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(propanoylamino)butanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2CCC(CC2)OCC3CCC(CC3)CCC=C(C#N)F

DOS

IR

Vibrations