Geometry & MOs

Info

ID:	54708
PubChem CID:	17389137
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	249.020812
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	2.17
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbamothioyl-4-oxophthalazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)CC2C(=O)NC(=S)NC2=O

DOS

IR

Vibrations