Geometry & MOs

Info

ID:	249411
PubChem CID:	103089250
Reduced:	FSCl2N2O2C12H15 (1)
Stoich.:	ABC2D2E2F12G15 (1)
Weight, g/mol:	205.11365
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	4.97
IP(EA), eV:	-9.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-2-(propan-2-ylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations