Geometry & MOs

Info

ID:	191765
PubChem CID:	78186252
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-amino-1-benzyl-2,2-dioxoimidazo[4,5-c][1,2,6]thiadiazin-5-yl)-1,3-oxathiolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)SCC(OCC)OCC)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations