Geometry & MOs

Info

ID:	249203
PubChem CID:	103087689
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	326.953512
ΔH_f, kcal/mol:	86.39
Dipole, Da:	7.44
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichloro-3-fluorophenyl)sulfonylazetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCCCCSC)N2C=NN=N2

DOS

IR

Vibrations