Geometry & MOs

Info

ID:	373742
PubChem CID:	131319585
Reduced:	ClSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	195.071785
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	4.49
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-ethylsulfanyl-2,3-dihydro-1-benzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(C(=O)O)O)C(=C(S2)Cl)O

DOS

IR

Vibrations