Geometry & MOs

Info

ID:	37121
PubChem CID:	8017117
Reduced:	ClSN3O5H12C17 (1)
Stoich.:	ABC3D5E12F17 (1)
Weight, g/mol:	324.253869
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	5.98
IP(EA), eV:	-9.8(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(3-methylbutyl)azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations