Geometry & MOs

Info

ID:	314997
PubChem CID:	126624149
Reduced:	ClSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	458.12388
ΔH_f, kcal/mol:	-125.33
Dipole, Da:	4.42
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCC(=O)CC1)C2=C(C3=C(S2)CCN(C3=O)CC4=C(C=C(NC4=O)C)Cl)C

DOS

IR

Vibrations