Geometry & MOs

Info

ID:	366259
PubChem CID:	127319716
Reduced:	ClSO3N4C16H19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	319.145344
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	2.71
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(oxan-2-ylmethoxy)propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations