Geometry & MOs

Info

ID:	417546
PubChem CID:	135101594
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.22
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(5-methyl-1H-indole-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations