Geometry & MOs

Info

ID:	335062
PubChem CID:	127253868
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	499.131027
ΔH_f, kcal/mol:	-47.87
Dipole, Da:	3.77
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CN1C=CC=C1CNC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations