Geometry & MOs

Info

ID:	249375
PubChem CID:	103089048
Reduced:	FSCl2N2O2C11H13 (1)
Stoich.:	ABC2D2E2F11G13 (1)
Weight, g/mol:	234.176585
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	5.8
IP(EA), eV:	-9.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-amino-5-methylsulfanylpentan-2-yl)amino]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1CC1C(CN)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations