Geometry & MOs

Info

ID:	78803
PubChem CID:	49732778
Reduced:	N2S2O3C22H24 (1)
Stoich.:	A2B2C3D22E24 (1)
Weight, g/mol:	460.112664
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	2.63
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfonylphenyl)-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCSC1=CC=CC(=C1)C(=O)N2CCC(CC2)OC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations