Geometry & MOs

Info

ID:	54228
PubChem CID:	16955344
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	4.93
IP(EA), eV:	-8.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CSC(=N2)NC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations