Geometry & MOs

Info

ID:	283922
PubChem CID:	104021009
Reduced:	BrFSO2N4H10C11 (1)
Stoich.:	ABCD2E4F10G11 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	3.73
IP(EA), eV:	-9.23(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-5-[(2-methylphenyl)methyl]-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=C2S(=O)(=O)N)C3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations