Geometry & MOs

Info

ID:	411574
PubChem CID:	135084406
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	2.46
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-5-azido-2-(2-methylphenyl)cyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCSC2=O

DOS

IR

Vibrations