Geometry & MOs

Info

ID:	344152
PubChem CID:	127267328
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	304.044855
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	3.47
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-fluoro-N-[4-(hydroxymethyl)thian-4-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)NCC1=NC=CS1)N2CCOCC2

DOS

IR

Vibrations