Geometry & MOs

Info

ID:	348747
PubChem CID:	127273858
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	6.33
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCN1CCOCC1)C(=O)CNC(=O)C2=CC3=C(S2)CCCC3

DOS

IR

Vibrations