Geometry & MOs

Info

ID:	27813
PubChem CID:	823695
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	331.008534
ΔH_f, kcal/mol:	23.99
Dipole, Da:	3.15
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=N3

DOS

IR

Vibrations