Geometry & MOs

Info

ID:

446694

PubChem CID:

135276964

Reduced:

N5O5C34H49 (1)

Stoich.:

A5B5C34D49 (1)

Weight, g/mol:

342.151433

ΔHf, kcal/mol:

-196.39

Dipole, Da:

6.04

IP(EA), eV:

 -9.38(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidin-1-yl]-(5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CCNC(=O)CCC/C=C\C[C@H]1CC[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)OC(=O)C(CC3=CN=CN3)NC(=O)C(C)N

DOS

IR

Vibrations