Geometry & MOs

Info

ID:	334435
PubChem CID:	127252987
Reduced:	N4O5H26C30 (1)
Stoich.:	A4B5C26D30 (1)
Weight, g/mol:	471.181251
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	5.73
IP(EA), eV:	-8.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NOC(=N2)CCN3C4=C(C5=C(C3=O)C(=C(C=C5)OC)OC)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations