Geometry & MOs

Info

ID:	46261
PubChem CID:	10523541
Reduced:	ClNO2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	376.14818
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	6.93
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,6R)-6-hydroxy-8,10-dioxo-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-5-yl]acetate

Drug info:

PubChemData

Smile

C[NH+]1CCC[C@H]1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

DOS

IR

Vibrations