Geometry & MOs

Info

ID:	306701
PubChem CID:	125165386
Reduced:	FSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	10.43
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)NC2=CN=NS2)COC3=CC=CC=C3F

DOS

IR

Vibrations