Geometry & MOs

Info

ID:	318158
PubChem CID:	126649121
Reduced:	BrSO3N5H12C13 (1)
Stoich.:	ABC3D5E12F13 (1)
Weight, g/mol:	364.100561
ΔH_f, kcal/mol:	3.83
Dipole, Da:	7.3
IP(EA), eV:	-8.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexane-1,2,3,4,5,6-hexol;methyl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)Br)COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations