Geometry & MOs

Info

ID:	359307
PubChem CID:	127298239
Reduced:	NSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-196.05
Dipole, Da:	9.09
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCOC3

DOS

IR

Vibrations