Geometry & MOs

Info

ID:	121530
PubChem CID:	50772007
Reduced:	SO4N5H13C16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	466.215095
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	1.31
IP(EA), eV:	-9.13(-1.37)
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-[1-(furan-2-yl)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CO4

DOS

IR

Vibrations