Geometry & MOs

Info

ID:	57871
PubChem CID:	24278079
Reduced:	BrClSN3O4H13C21 (1)
Stoich.:	ABCD3E4F13G21 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	3.91
IP(EA), eV:	-9.91(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-ethyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br)C(=O)O

DOS

IR

Vibrations