Geometry & MOs

Info

ID:	231429
PubChem CID:	87573692
Reduced:	N2O4C25H40 (1)
Stoich.:	A2B4C25D40 (1)
Weight, g/mol:	351.1293
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	1.39
IP(EA), eV:	-9.1(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-piperidin-4-ylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]([C@@]4([C@@]3(CC/C(=N\O[C@@H]5CCNC5)/C4(C)C)C)O)O

DOS

IR

Vibrations