Geometry & MOs

Info

ID:	333985
PubChem CID:	127252537
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	495.156099
ΔH_f, kcal/mol:	-29.17
Dipole, Da:	4.79
IP(EA), eV:	-8.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C=C2C(C3=C(CN(C3=O)C(=O)C)NC4=C2C1=CC=C4)C5=CN(N=C5)C(C)C

DOS

IR

Vibrations