Geometry & MOs

Info

ID:	317640
PubChem CID:	126644690
Reduced:	FSN2O3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	6.02
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CC1=C(C=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)F)O

DOS

IR

Vibrations