Geometry & MOs

Info

ID:	418793
PubChem CID:	135106817
Reduced:	ON6C12H18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	33.98
Dipole, Da:	3.26
IP(EA), eV:	-8.46(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(1-benzothiophen-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)CN(C)CC2=CC=NN2)C

DOS

IR

Vibrations