Geometry & MOs

Info

ID:	349953
PubChem CID:	127276758
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	6.93
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC=C2CNC(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations