Geometry & MOs

Info

ID:	17087
PubChem CID:	483534
Reduced:	NSO3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	500.107579
ΔH_f, kcal/mol:	-177.26
Dipole, Da:	2.34
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-benzyl-2,2,4-trioxo-6-phenylthieno[2,3-c][1,2,6]thiadiazin-3-yl)ethoxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOCCN1C(=O)C2=C(N(S1(=O)=O)CC3=CC=CC=C3)SC(=C2)C4=CC=CC=C4

DOS

IR

Vibrations