Geometry & MOs

Info

ID:	403558
PubChem CID:	135060786
Reduced:	FN2O14C37H49 (1)
Stoich.:	AB2C14D37E49 (1)
Weight, g/mol:	313.111422
ΔH_f, kcal/mol:	-653.86
Dipole, Da:	2.63
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1R)-1-fluoro-2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)F)O)O)NC(=O)C

DOS

IR

Vibrations