Geometry & MOs

Info

ID:	379797
PubChem CID:	134464923
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	350.035477
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	1.75
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C3CN(C2)C(=O)N3C)SC1=O

DOS

IR

Vibrations