Geometry & MOs

Info

ID:	167530
PubChem CID:	74843997
Reduced:	SN2O5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-128.9
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755533
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylcyclohexyl)-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3[NH+](CC2=O)CCC4=CC=CC=C4OC

DOS

IR

Vibrations