Geometry & MOs

Info

ID:	430611
PubChem CID:	135170677
Reduced:	NSO2C7H11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	215.061614
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	0.34
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfanyl-1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

CCSC1=CC(N(C1=O)C)O

DOS

IR

Vibrations