Geometry & MOs

Info

ID:	196853
PubChem CID:	78886831
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	292.134445
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	2.79
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 3-(2-methylpropylsulfonyl)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC2=C(C=CC=N2)C(=O)NCCO

DOS

IR

Vibrations