Geometry & MOs

Info

ID:	46321
PubChem CID:	10523880
Reduced:	NSF3O4C16H22 (1)
Stoich.:	ABC3D4E16F22 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-306.58
Dipole, Da:	3.36
IP(EA), eV:	-8.63(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-benzyl-6-methoxy-7-(methoxymethoxy)indol-4-yl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN([C@H]1CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)OC1)C(C)C

DOS

IR

Vibrations