Geometry & MOs

Info

ID:	57891
PubChem CID:	24278315
Reduced:	FSCl2O2N4H13C20 (1)
Stoich.:	ABC2D2E4F13G20 (1)
Weight, g/mol:	299.022832
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	8.98
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-5-propan-2-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=NN2C3=CC=C(C=C3)N)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations