Geometry & MOs

Info

ID:	57901
PubChem CID:	24278357
Reduced:	BrSN3O4H20C24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	2.46
IP(EA), eV:	-9.89(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexyl-1-(4-propan-2-ylphenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations