Geometry & MOs

Info

ID:	271509
PubChem CID:	103681639
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	333.00343
ΔH_f, kcal/mol:	-156.32
Dipole, Da:	3.66
IP(EA), eV:	-8.32(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromofuran-2-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCCOC)(CSC)O

DOS

IR

Vibrations