Geometry & MOs

Info

ID:	129733
PubChem CID:	51073667
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	333.026013
ΔH_f, kcal/mol:	28.85
Dipole, Da:	3.05
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=CN3

DOS

IR

Vibrations