Geometry & MOs

Info

ID:	337829
PubChem CID:	127258452
Reduced:	S2O5C12H18 (1)
Stoich.:	A2B5C12D18 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-231.11
Dipole, Da:	3.21
IP(EA), eV:	-9.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(1-methyl-3-oxopyrrolidin-2-ylidene)ethyl] butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)C1(SCCS1)C(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations