Geometry & MOs

Info

ID:	383873
PubChem CID:	134975900
Reduced:	S2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	3.42
IP(EA), eV:	-8.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(3-methyl-5-piperidin-1-ylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=C(C=C(S1)SC)C2=CC=CO2

DOS

IR

Vibrations