Geometry & MOs

Info

ID:	246653
PubChem CID:	103064434
Reduced:	NO2S2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	309.059028
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	4.48
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(C=CS2)C#CCO

DOS

IR

Vibrations