Geometry & MOs

Info

ID:	238588
PubChem CID:	92763264
Reduced:	OSN5C32H35 (1)
Stoich.:	ABC5D32E35 (1)
Weight, g/mol:	537.256232
ΔH_f, kcal/mol:	97.36
Dipole, Da:	2.01
IP(EA), eV:	-8.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(S)-(4-benzhydrylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Drug info:

PubChemData

Smile

CC1=NN2C(=C(SC2=N1)[C@@H](C3=CC=C(C=C3)C(C)C)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations