Geometry & MOs

Info

ID:	142574
PubChem CID:	53059904
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	458.114772
ΔH_f, kcal/mol:	-101.7
Dipole, Da:	2.95
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations