Geometry & MOs

Info

ID:	401483
PubChem CID:	135051390
Reduced:	NO2C24H27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	157.986007
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	3.51
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CCN(CC)C1C=CC[C@H]([C@@H]1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations