Geometry & MOs

Info

ID:	249219
PubChem CID:	103087837
Reduced:	FNSCl2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	200.109568
ΔH_f, kcal/mol:	-209.98
Dipole, Da:	3.51
IP(EA), eV:	-10.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)butan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations