Geometry & MOs

Info

ID:	419444
PubChem CID:	135108190
Reduced:	ClN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	3.71
IP(EA), eV:	-9.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations