Geometry & MOs

Info

ID:	334834
PubChem CID:	127253640
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	481.115296
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	1.77
IP(EA), eV:	-8.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-(2H-tetrazol-5-yl)anilino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations