Geometry & MOs

Info

ID:	138820
PubChem CID:	52431150
Reduced:	SO3N7C21H27 (1)
Stoich.:	AB3C7D21E27 (1)
Weight, g/mol:	443.173959
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	7.46
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)OC)NC(=O)CN4CCN(CC4)C(=O)C

DOS

IR

Vibrations