Geometry & MOs

Info

ID:	379798
PubChem CID:	134464926
Reduced:	SN2O3C5H7 (2)
Stoich.:	AB2C3D5E7 (2)
Weight, g/mol:	373.015075
ΔH_f, kcal/mol:	-176.57
Dipole, Da:	5.87
IP(EA), eV:	-9.16(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1H-imidazol-2-ylmethyl)-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

C1C2C3=C(CN1C(=O)N2OS(=O)(=O)O)N(C(=O)S3)CCCN

DOS

IR

Vibrations