Geometry & MOs

Info

ID:	401999
PubChem CID:	135053769
Reduced:	SSiN2O7C40H54 (1)
Stoich.:	ABC2D7E40F54 (1)
Weight, g/mol:	286.023455
ΔH_f, kcal/mol:	-285.77
Dipole, Da:	5.29
IP(EA), eV:	-8.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylsulfanylsulfinylcinnoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)/C=C\3/C4[C@@H](CC(N4CC5=CC=CC=C5)C(=O)N3)CO[Si](C(C)C)(C(C)C)C(C)C)OC)C)OC

DOS

IR

Vibrations