Geometry & MOs

Info

ID:	200888
PubChem CID:	79459145
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	337.02777
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	5.0
IP(EA), eV:	-8.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-fluorophenyl)azetidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC)NC2CCCC(C2)N

DOS

IR

Vibrations