Geometry & MOs

Info

ID:	165376
PubChem CID:	74541510
Reduced:	N3O4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	299.03128
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769064
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-methylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CC[N+]2=NC(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations