Geometry & MOs

Info

ID:	57898
PubChem CID:	24278350
Reduced:	FSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	452.107375
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	7.21
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations