Geometry & MOs

Info

ID:	53023
PubChem CID:	14709413
Reduced:	O2S2N6H14C19 (1)
Stoich.:	A2B2C6D14E19 (1)
Weight, g/mol:	258.046299
ΔH_f, kcal/mol:	109.99
Dipole, Da:	6.66
IP(EA), eV:	-9.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-oxothiolane-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=NC2C(=O)N/C(=C\C3=NC(=O)C(S3)N=NC4=CC=CC=C4)/S2

DOS

IR

Vibrations