Geometry & MOs

Info

ID:	78791
PubChem CID:	49731958
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	5.17
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations