Geometry & MOs

Info

ID:	48433
PubChem CID:	10548140
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	392.185454
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	5.14
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-(111C)methylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(CC=C)(C3=CC=CC=C3)O)N=C1N

DOS

IR

Vibrations