Geometry & MOs

Info

ID:	249141
PubChem CID:	103087182
Reduced:	NOSF3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-193.25
Dipole, Da:	2.28
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylsulfanylbutylamino)-2,3-dihydrophthalazine-1,4-dione

Drug info:

PubChemData

Smile

CSCCCCNC1=CC=CC=C1OC(F)(F)F

DOS

IR

Vibrations