Geometry & MOs

Info

ID:	182362
PubChem CID:	76880890
Reduced:	N2S2O3C10H10 (1)
Stoich.:	A2B2C3D10E10 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	2.47
IP(EA), eV:	-9.24(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4-cyanophenyl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C(=NC1=S)C=CS2

DOS

IR

Vibrations