Geometry & MOs

Info

ID:	78790
PubChem CID:	49731955
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	3.84
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCC(CC2)OC3=NC4=C(S3)C=CC(=C4)OC

DOS

IR

Vibrations