Geometry & MOs

Info

ID:	322150
PubChem CID:	126668915
Reduced:	SO2N3F4H21C25 (1)
Stoich.:	AB2C3D4E21F25 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-210.51
Dipole, Da:	7.75
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-7-propan-2-yl-6,7-dihydro-5H-pyrano[3,2-f][1,2]benzoxazole

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)SNC5=NC(=CC=C5)F

DOS

IR

Vibrations