Geometry & MOs

Info

ID:	430467
PubChem CID:	135170531
Reduced:	SN2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	175.030314
ΔH_f, kcal/mol:	38.07
Dipole, Da:	2.39
IP(EA), eV:	-9.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-1,2-dihydroxy-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NC(=NS1)C2CCC2

DOS

IR

Vibrations