Geometry & MOs

Info

ID:	133126
PubChem CID:	51480340
Reduced:	ClSN2O6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	382.138953
ΔH_f, kcal/mol:	-189.07
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[1-(4-methyl-2,6-dioxopyrimidin-5-ylidene)ethyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

DOS

IR

Vibrations