Geometry & MOs

Info

ID:	271505
PubChem CID:	103681466
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	3.37
IP(EA), eV:	-8.32(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CC1CCCO1)(CSC)O

DOS

IR

Vibrations