Geometry & MOs

Info

ID:	311368
PubChem CID:	126591194
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	357.102394
ΔH_f, kcal/mol:	-163.12
Dipole, Da:	2.9
IP(EA), eV:	-9.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-7-[[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]chromen-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)O)C

DOS

IR

Vibrations