Geometry & MOs

Info

ID:	432884
PubChem CID:	135173021
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	115.04557
ΔH_f, kcal/mol:	-78.54
Dipole, Da:	5.25
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-5-thia-1-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3(C1=O)CC(=C)C(=O)O3

DOS

IR

Vibrations