Geometry & MOs

Info

ID:	162355
PubChem CID:	57394416
Reduced:	NSCl2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	4.69
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)OS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations