Geometry & MOs

Info

ID:	378741
PubChem CID:	134224837
Reduced:	NSH13C22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	630.30535
ΔH_f, kcal/mol:	96.67
Dipole, Da:	2.09
IP(EA), eV:	-8.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[6-[[(7S)-5-azido-6-hydroxy-9-phenyl-3,8,10-trioxabicyclo[5.3.1]undecan-4-yl]oxy]hexyl]-N-benzylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2SC4=CC5=C(C=C34)NC6=CC=CC=C65

DOS

IR

Vibrations