Geometry & MOs

Info

ID:	121536
PubChem CID:	50772520
Reduced:	SO2N6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	484.185687
ΔH_f, kcal/mol:	-5.65
Dipole, Da:	2.84
IP(EA), eV:	-8.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N=C2N1N=C(S2)N(C)CC(=O)NCCCOC)C3=CC=CC=C3

DOS

IR

Vibrations