Geometry & MOs

Info

ID:	298857
PubChem CID:	117661776
Reduced:	NO6C32H37 (1)
Stoich.:	AB6C32D37 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-233.18
Dipole, Da:	6.01
IP(EA), eV:	-8.45(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-[1-[(2-butylpyridin-4-yl)methyl]indol-3-yl]-2-hydroxypropyl] benzoate

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C(=C1)O)CN2C3[C@@](C[C@H](O3)CC(=O)CC4=CC=CC(=C4)C)(C5=C2C=CC(=C5)CO)O)O

DOS

IR

Vibrations