Geometry & MOs

Info

ID:	238586
PubChem CID:	92741998
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	555.230411
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	5.04
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=CC(=CC=C1)OC)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations