Geometry & MOs

Info

ID:	423043
PubChem CID:	135118834
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	12.24
Dipole, Da:	7.57
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(1-ethylindol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC(=C2)C(=O)O)CC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations