Geometry & MOs

Info

ID:	151129
PubChem CID:	53790827
Reduced:	SN2O4H30C32 (1)
Stoich.:	AB2C4D30E32 (1)
Weight, g/mol:	146.057909
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	5.18
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyloxypropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)N[C@H]2[C@H](NC2=O)CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations