Geometry & MOs

Info

ID:	436064
PubChem CID:	135193655
Reduced:	SO2N7C24H33 (1)
Stoich.:	AB2C7D24E33 (1)
Weight, g/mol:	531.27803
ΔH_f, kcal/mol:	11.66
Dipole, Da:	9.15
IP(EA), eV:	-7.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-[1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCN(CC2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)N(C)CCO

DOS

IR

Vibrations