Geometry & MOs

Info

ID:	230306
PubChem CID:	87570623
Reduced:	F2N2O7C21H28 (1)
Stoich.:	A2B2C7D21E28 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-373.9
Dipole, Da:	3.79
IP(EA), eV:	-9.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[1-(1-methylindol-3-yl)ethylideneamino]oxybutyl]-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(C)C)C)F)F

DOS

IR

Vibrations