Geometry & MOs

Info

ID:	408232
PubChem CID:	135080994
Reduced:	BrNSO2Cl3C9H11 (1)
Stoich.:	ABCD2E3F9G11 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-6.26
Dipole, Da:	6.73
IP(EA), eV:	-9.55(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(1-benzofuran-2-yl)oxolan-2-one

Drug info:

PubChemData

Smile

CCCCCS/C(=C(\C(=C(Cl)Br)Cl)/[N+](=O)[O-])/Cl

DOS

IR

Vibrations