Geometry & MOs

Info

ID:	121535
PubChem CID:	50772371
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	430.215095
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	7.25
IP(EA), eV:	-8.59(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=O)N(C(=O)C2)C3=CC(=C(C=C3)OC)Cl)OC

DOS

IR

Vibrations