Geometry & MOs

Info

ID:	146259
PubChem CID:	53660461
Reduced:	BrON2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	535.215887
ΔH_f, kcal/mol:	40.06
Dipole, Da:	5.49
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-6-acetyl-3-hydroxy-2,2-dimethyl-8-(2-phenylethenyl)-3,4-dihydrochromen-4-yl]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

C1[C@H]2COC3=C([C@@H]2CN1CC4=CC=CC=C4Br)C=C(C=C3)C#N

DOS

IR

Vibrations