Geometry & MOs

Info

ID:	249194
PubChem CID:	103087629
Reduced:	FNSCl2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-212.21
Dipole, Da:	7.64
IP(EA), eV:	-10.28(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-1H-indazol-7-amine

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)O)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations