Geometry & MOs

Info

ID:	432180
PubChem CID:	135172312
Reduced:	I2N2H8C15 (1)
Stoich.:	A2B2C8D15 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	121.9
Dipole, Da:	5.77
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-ethyl-4-hydroxy-5-methylthiolan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)I)C4=NC(=CN24)I

DOS

IR

Vibrations