Geometry & MOs

Info

ID:	173604
PubChem CID:	75660429
Reduced:	SN3O3C10H19 (1)
Stoich.:	AB3C3D10E19 (1)
Weight, g/mol:	210.051481
ΔH_f, kcal/mol:	-147.49
Dipole, Da:	6.47
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-cyano-5-(ethylamino)-4-nitropenta-2,4-dienoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1NC(CC(=O)N1)O

DOS

IR

Vibrations