Geometry & MOs

Info

ID:	344035
PubChem CID:	127267211
Reduced:	FSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	341.114234
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	4.6
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-5-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)NC2=NC=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations