Geometry & MOs

Info

ID:	84058
PubChem CID:	49863922
Reduced:	SN2F3O6C32H33 (1)
Stoich.:	AB2C3D6E32F33 (1)
Weight, g/mol:	431.093579
ΔH_f, kcal/mol:	-330.04
Dipole, Da:	3.56
IP(EA), eV:	-8.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-4-[1-[(2-chloro-6-fluorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=CC(=N2)COC3=CC4=C(C=C3)OC([C@H]([C@H]4CO)CC5=C(C=CC(=C5)NS(=O)(=O)C(F)(F)F)OC)(C)C

DOS

IR

Vibrations