Geometry & MOs

Info

ID:	57876
PubChem CID:	24278148
Reduced:	BrClSN3O4H13C21 (1)
Stoich.:	ABCD3E4F13G21 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	7.08
IP(EA), eV:	-9.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-5-propan-2-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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)Cl

DOS

IR

Vibrations