Geometry & MOs

Info

ID:	405405
PubChem CID:	135073846
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	4.17
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-5-azido-2-(4-methylphenyl)-3-phenylcyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CC(=O)/C(=C(/C1=CC=CS1)\NC(=O)/C=C/C2=CC=CC=C2)/OC

DOS

IR

Vibrations