Geometry & MOs

Info

ID:	437404
PubChem CID:	135226213
Reduced:	F2O2N8C27H30 (1)
Stoich.:	A2B2C8D27E30 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	6.28
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations