Geometry & MOs

Info

ID:	140477
PubChem CID:	52705584
Reduced:	FSO2N6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	455.142739
ΔH_f, kcal/mol:	83.59
Dipole, Da:	4.95
IP(EA), eV:	-8.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)F

DOS

IR

Vibrations