Geometry & MOs

Info

ID:	78798
PubChem CID:	49732000
Reduced:	SN2O4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	444.150764
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	2.75
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N3CCC(CC3)OC4=NC5=C(S4)C=CC(=C5)OC

DOS

IR

Vibrations