Geometry & MOs

Info

ID:	121533
PubChem CID:	50772354
Reduced:	FOSN6C25H33 (1)
Stoich.:	ABCD6E25F33 (1)
Weight, g/mol:	473.237308
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	5.4
IP(EA), eV:	-8.42(-0.84)
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]-1-(4-ethylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N=C2N1N=C(S2)N(C)CC(=O)NCCC3=CCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations