Geometry & MOs

Info

ID:	249185
PubChem CID:	103087525
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	357.000463
ΔH_f, kcal/mol:	87.3
Dipole, Da:	10.28
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propan-2-ylamino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations