Geometry & MOs

Info

ID:	146260
PubChem CID:	53660652
Reduced:	FNO4H30C34 (1)
Stoich.:	ABC4D30E34 (1)
Weight, g/mol:	535.215887
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	4.83
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C2C(=C1)C([C@H](C(O2)(C)C)O)N(C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4)C=CC5=CC=CC=C5

DOS

IR

Vibrations