Geometry & MOs

Info

ID:	373354
PubChem CID:	131313879
Reduced:	SO2H3N3C5 (1)
Stoich.:	AB2C3D3E5 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	50.63
Dipole, Da:	1.41
IP(EA), eV:	-9.4(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-ethyl-5,7-dihydro-4H-furo[2,3-c]pyran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(S1)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations