Geometry & MOs

Info

ID:	440344
PubChem CID:	135230303
Reduced:	O4N6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	3.63
IP(EA), eV:	-8.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,5S)-2-(2-fluoropyridin-4-yl)-5-(2-methoxyethyl)oxolane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@H]4[C@@H](O[C@@H](O4)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations