Geometry & MOs

Info

ID:	46310
PubChem CID:	10523826
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	380.12936
ΔH_f, kcal/mol:	66.94
Dipole, Da:	10.35
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)ethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N=NN(C)CCN(C)N=NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations