Geometry & MOs

Info

ID:	399928
PubChem CID:	135043895
Reduced:	SO2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	186.06808
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	2.7
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[(1R)-1-hydroxyprop-2-ynyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(=C1[C@@H](C2=C(C1=O)SC3=CC=CC=C32)O)C

DOS

IR

Vibrations