Geometry & MOs

Info

ID:	320217
PubChem CID:	126658746
Reduced:	SO2N9C23H25 (1)
Stoich.:	AB2C9D23E25 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	88.46
Dipole, Da:	8.19
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-4-hydroxypiperidin-1-yl)-[2-methyl-4-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)NCC2=NN=CS2)NC(C3=CC=CC(=N3)C4=CC(=NC=C4)NCC5CC5)O

DOS

IR

Vibrations