Geometry & MOs

Info

ID:

436063

PubChem CID:

135193654

Reduced:

ClOSN8C27H37 (1)

Stoich.:

ABCD8E27F37 (1)

Weight, g/mol:

483.241645

ΔHf, kcal/mol:

61.63

Dipole, Da:

12.92

IP(EA), eV:

 -8.36(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[6-[4-[2-hydroxyethyl(methyl)amino]phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)CCNC(=C)CN1CCN(CC1)C(=O)C2CCN(CC2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations