Geometry & MOs

Info

ID:	285894
PubChem CID:	104136692
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-153.88
Dipole, Da:	6.08
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations