Geometry & MOs

Info

ID:	314988
PubChem CID:	126624116
Reduced:	ClFO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	423.255563
ΔH_f, kcal/mol:	-206.32
Dipole, Da:	3.63
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-aminoethyl)-5-[[4-(3-ethoxyazetidin-1-yl)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1C23CC4CC(C2)CC(C4)C3)Cl)C(=O)C5CCC5C(=O)OC)F

DOS

IR

Vibrations