Geometry & MOs

Info

ID:	405387
PubChem CID:	135073722
Reduced:	N2O3C5H9 (2)
Stoich.:	A2B3C5D9 (2)
Weight, g/mol:	684.132649
ΔH_f, kcal/mol:	-210.14
Dipole, Da:	5.85
IP(EA), eV:	-9.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-6-[6'-[(2S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O)CO)OCCN=[N+]=[N-]

DOS

IR

Vibrations