Geometry & MOs

Info

ID:	16523
PubChem CID:	472041
Reduced:	ClN2S2O3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	418.021262
ΔH_f, kcal/mol:	-40.46
Dipole, Da:	5.09
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibenzyl-6-chloro-1,1-dioxothieno[3,2-e][1,2,4]thiadiazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(SC(=C3)Cl)S(=O)(=O)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations