Geometry & MOs

Info

ID:	272675
PubChem CID:	103751053
Reduced:	NSCl2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	5.32
IP(EA), eV:	-9.77(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-4-methylpentan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=C(SC(=C1)Cl)Cl

DOS

IR

Vibrations