Geometry & MOs

Info

ID:	266891
PubChem CID:	103579891
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	8.71
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(oxolan-2-ylmethylsulfanyl)propanoate

Drug info:

PubChemData

Smile

C1CC(OC1)CSCCCN2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations