Geometry & MOs

Info

ID:	334204
PubChem CID:	127252756
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	481.140449
ΔH_f, kcal/mol:	-175.48
Dipole, Da:	6.14
IP(EA), eV:	-8.41(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN(CCO)CCO)OC

DOS

IR

Vibrations