Geometry & MOs

Info

ID:	159328
PubChem CID:	57269574
Reduced:	SO3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	2.8
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutan-2-yl 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)SC

DOS

IR

Vibrations