Geometry & MOs

Info

ID:	17526
PubChem CID:	503148
Reduced:	SN5O5C9H13 (1)
Stoich.:	AB5C5D9E13 (1)
Weight, g/mol:	303.06374
ΔH_f, kcal/mol:	-155.59
Dipole, Da:	9.26
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C2=C(C(=NS1(=O)=O)N)NC=N2

DOS

IR

Vibrations