Geometry & MOs

Info

ID:	243525
PubChem CID:	99226238
Reduced:	SN5O5C22H27 (1)
Stoich.:	AB5C5D22E27 (1)
Weight, g/mol:	443.10704
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	6.69
IP(EA), eV:	-9.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)C(=O)[C@H](C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations