Geometry & MOs

Info

ID:	234491
PubChem CID:	92298545
Reduced:	ClSN3O3C30H32 (1)
Stoich.:	ABC3D3E30F32 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	5.32
IP(EA), eV:	-8.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-fluorophenyl)methyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations