Geometry & MOs

Info

ID:	46996
PubChem CID:	10528829
Reduced:	SeO4C26H28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	483.098788
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	3.18
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trihydroxy-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@@H]1[Se](=O)C2=CC=CC=C2)COCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations