Geometry & MOs

Info

ID:	349959
PubChem CID:	127276764
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-166.01
Dipole, Da:	4.29
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCNC(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations