Geometry & MOs

Info

ID:	125920
PubChem CID:	50944078
Reduced:	SO2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	312.068097
ΔH_f, kcal/mol:	43.64
Dipole, Da:	6.97
IP(EA), eV:	-8.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-amino-5-[[5-(3-aminophenyl)-6-oxo-1H-pyridin-3-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN1/C(=C\C2=CC=C(O2)C3=CSC4=CC=CC=C43)/C(=O)N=C1N

DOS

IR

Vibrations