Geometry & MOs

Info

ID:	67986
PubChem CID:	46507548
Reduced:	FSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	390.091725
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	4.52
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)sulfonyl-N-(3-chlorophenyl)-2H-triazol-4-amine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations