Geometry & MOs

Info

ID:	165415
PubChem CID:	74547238
Reduced:	SN3O4C6H7 (1)
Stoich.:	AB3C4D6E7 (1)
Weight, g/mol:	317.222903
ΔH_f, kcal/mol:	-119.41
Dipole, Da:	4.7
IP(EA), eV:	-10.29(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,7-dimethyl-2-(4-propan-2-yloxyphenyl)-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-ol

Drug info:

PubChemData

Smile

CC(C(=O)O)SC1C(=O)NC(=O)N=N1

DOS

IR

Vibrations