Geometry & MOs

Info

ID:	379795
PubChem CID:	134464916
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	335.024578
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	2.47
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,9-dioxo-5-propyl-3-thia-5,8,10-triazatricyclo[6.2.1.02,6]undec-2(6)-en-10-yl) hydrogen sulfate

Drug info:

PubChemData

Smile

CC1CN(C(C2=C1SC(=N2)OC)CN)C

DOS

IR

Vibrations