Geometry & MOs

Info

ID:	16162
PubChem CID:	460366
Reduced:	S2O4N5C15H17 (1)
Stoich.:	A2B4C5D15E17 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	7.38
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-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

C1[C@@H](O[C@@H](S1)CO)N2C=NC3=C2C(=NS(=O)(=O)N3CC4=CC=CC=C4)N

DOS

IR

Vibrations