Geometry & MOs

Info

ID:	289576
PubChem CID:	104359611
Reduced:	BrSO4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	312.058693
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	7.01
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylsulfanylmethyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CSC3=CC=C(O3)C(=O)O)Br

DOS

IR

Vibrations