Geometry & MOs

Info

ID:	249235
PubChem CID:	103087953
Reduced:	FNSCl2O3C12H14 (1)
Stoich.:	ABCD2E3F12G14 (1)
Weight, g/mol:	215.120467
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	4.61
IP(EA), eV:	-10.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

CC(=C)COCCNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations