Geometry & MOs

Info

ID:	134318
PubChem CID:	51680391
Reduced:	NO7C27H35 (1)
Stoich.:	AB7C27D35 (1)
Weight, g/mol:	431.08445
ΔH_f, kcal/mol:	-285.02
Dipole, Da:	6.42
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-5-bromo-3-[(2S)-2-(pyridine-3-carbonylamino)propyl]-2,3-dihydroindol-1-yl]acetate

Drug info:

PubChemData

Smile

CCCOCCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=C3OCC)C(=O)[C@H]([C@@H](C2)C)C(=O)OC)C

DOS

IR

Vibrations