Geometry & MOs

Info

ID:	338865
PubChem CID:	127259876
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	3.66
IP(EA), eV:	-9.43(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropyl 7-phenylheptanoate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)OCCC1=CC=CC=C1

DOS

IR

Vibrations