Geometry & MOs

Info

ID:	134613
PubChem CID:	51726295
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	443.097349
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	2.69
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCC[C@@H]1C2=CSC=C2

DOS

IR

Vibrations