Geometry & MOs

Info

ID:	31008
PubChem CID:	854085
Reduced:	NPSO2C8H18 (1)
Stoich.:	ABCD2E8F18 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-186.81
Dipole, Da:	4.37
IP(EA), eV:	-9.0(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[1-(2-amino-2-sulfanylideneethyl)pyrrolidin-2-ylidene]-2-cyanoacetate

Drug info:

PubChemData

Smile

CCOP1(=S)N(CCO1)C(C)(C)C

DOS

IR

Vibrations