Geometry & MOs

Info

ID:	191194
PubChem CID:	78116416
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	423.114044
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	7.85
IP(EA), eV:	-8.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,5-trimethoxyphenyl)ethenyl]-10H-phenothiazine 5,5-dioxide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=C3C(=CC=C2)S(=O)(=O)C4=CC=CC=C4N3)OC

DOS

IR

Vibrations