Geometry & MOs

Info

ID:	405347
PubChem CID:	135073572
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	22.4
Dipole, Da:	1.65
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[3-(dimethyl-lambda4-sulfanylidene)-2-oxopropyl]phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(=C1N2C(=O)CSC2=NC3=CC=C(C=C3)OC)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations