Geometry & MOs

Info

ID:	150689
PubChem CID:	53790383
Reduced:	SO4C23H38 (1)
Stoich.:	AB4C23D38 (1)
Weight, g/mol:	538.140987
ΔH_f, kcal/mol:	-196.52
Dipole, Da:	7.25
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzamido-11-hydroxy-1,3-dimethoxy-8,10,12-trioxo-6,6a,7,10a,11,11a-hexahydro-5aH-benzo[b]thioxanthene-9-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(C=C[C@@H]1[C@@H]2CC[C@H]([C@@H]1CCSCC=CCC(=O)O)O2)O

DOS

IR

Vibrations