Geometry & MOs

Info

ID:	272853
PubChem CID:	103762360
Reduced:	NSO2F3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-167.9
Dipole, Da:	4.02
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(=O)NCC(C2=CSC=C2)O)F)F)F

DOS

IR

Vibrations