Geometry & MOs

Info

ID:	65285
PubChem CID:	29211902
Reduced:	SO3N5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	512.235831
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	3.47
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)N/N=C\3/C[C@@H]4CC[C@]3(C4(C)C)C

DOS

IR

Vibrations