Geometry & MOs

Info

ID:	208786
PubChem CID:	80586249
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	8.43
IP(EA), eV:	-9.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxybut-1-ynyl)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3CCCS3)C=CC(=C2)C(=O)O

DOS

IR

Vibrations