Geometry & MOs

Info

ID:	388541
PubChem CID:	134989437
Reduced:	N2O2H4C5 (2)
Stoich.:	A2B2C4D5 (2)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	5.34
IP(EA), eV:	-10.0(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[amino-(5-amino-2,3-dihydrothiophen-4-yl)methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations