Geometry & MOs

Info

ID:	120669
PubChem CID:	50739941
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	393.035417
ΔH_f, kcal/mol:	20.07
Dipole, Da:	3.54
IP(EA), eV:	-8.78(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5Z)-4-oxo-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCCN2C(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/SC2=S

DOS

IR

Vibrations