Geometry & MOs

Info

ID:	209568
PubChem CID:	80688288
Reduced:	ClSN3O3C7H8 (1)
Stoich.:	ABC3D3E7F8 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	5.22
IP(EA), eV:	-9.48(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethylsulfonyl)-3-propan-2-ylazetidin-3-amine

Drug info:

PubChemData

Smile

CN(CC(=O)N)C1=NC(=C(S1)C(=O)O)Cl

DOS

IR

Vibrations