Geometry & MOs

Info

ID:	322666
PubChem CID:	126670764
Reduced:	NSO8C30H31 (1)
Stoich.:	ABC8D30E31 (1)
Weight, g/mol:	365.202465
ΔH_f, kcal/mol:	-217.63
Dipole, Da:	6.3
IP(EA), eV:	-9.07(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R)-1-[4-(3-methoxyazetidin-1-yl)cyclohexyl]propyl]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)SC[C@H]([C@H]([C@@H]([C@@H](CON1C(=O)C2=CC=CC=C2C1=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations