Geometry & MOs

Info

ID:	37826
PubChem CID:	8024927
Reduced:	ClOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	389.04356
ΔH_f, kcal/mol:	53.22
Dipole, Da:	4.61
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanylethyl-[(2-phenyltriazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

DOS

IR

Vibrations