Geometry & MOs

Info

ID:	164159
PubChem CID:	74382117
Reduced:	SN3O8C29H41 (1)
Stoich.:	AB3C8D29E41 (1)
Weight, g/mol:	474.160473
ΔH_f, kcal/mol:	-313.47
Dipole, Da:	8.69
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-chloro-2-(5-methyl-4-pyrazolidin-3-yl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=C(C=C1)OC)NC(=O)OC2COC3C2CCO3)N)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations