Geometry & MOs

Info

ID:	138819
PubChem CID:	52430740
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	457.189609
ΔH_f, kcal/mol:	42.74
Dipole, Da:	11.5
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-N-[2-methoxy-5-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=O)CN4CCCC[C@H]4C

DOS

IR

Vibrations