Geometry & MOs

Info

ID:	160091
PubChem CID:	57304696
Reduced:	SN3O5C27H29 (1)
Stoich.:	AB3C5D27E29 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	8.67
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropyl pentanoate

Drug info:

PubChemData

Smile

CCCCN(CC(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations