Geometry & MOs

Info

ID:	412922
PubChem CID:	135085859
Reduced:	IOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	200.011924
ΔH_f, kcal/mol:	31.54
Dipole, Da:	2.67
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(3R)-hex-4-yn-3-yl] sulfate

Drug info:

PubChemData

Smile

C/C=C/OC1=C(C2=CC=CC=C2C=C1)I

DOS

IR

Vibrations