Geometry & MOs

Info

ID:	123001
PubChem CID:	50829692
Reduced:	O2N5C27H29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	460.205674
ΔH_f, kcal/mol:	9.7
Dipole, Da:	5.33
IP(EA), eV:	-8.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations