Geometry & MOs

Info

ID:	269546
PubChem CID:	103617922
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	190.102751
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	6.57
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-pentylsulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCCCOC2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations