Geometry & MOs

Info

ID:	322134
PubChem CID:	126668823
Reduced:	ISN3O3F4H14C20 (1)
Stoich.:	ABC3D3E4F14G20 (1)
Weight, g/mol:	520.102825
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	6.46
IP(EA), eV:	-9.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)I)C=CC(=C2)S(=O)(=O)NC4=NC=C(C=N4)F

DOS

IR

Vibrations