Geometry & MOs

Info

ID:	338369
PubChem CID:	127259061
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	233.054421
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	7.08
IP(EA), eV:	-10.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbothioylsulfanyl)ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=NC(=O)C2=CC=CC=C21

DOS

IR

Vibrations