Geometry & MOs

Info

ID:	335114
PubChem CID:	127253920
Reduced:	O8H16C21 (1)
Stoich.:	A8B16C21 (1)
Weight, g/mol:	503.16925
ΔH_f, kcal/mol:	-251.96
Dipole, Da:	5.98
IP(EA), eV:	-8.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-[[2-(methoxymethyl)-3H-benzimidazol-5-yl]amino]ethylidene]-8,9b-dimethyldibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=C(OC3=C2C(=O)OC(=C3)C)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations