Geometry & MOs

Info

ID:	203887
PubChem CID:	79889507
Reduced:	SCl2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	1.11
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-propylsulfanylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations