Geometry & MOs

Info

ID:	335040
PubChem CID:	127253846
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	508.151348
ΔH_f, kcal/mol:	-142.4
Dipole, Da:	3.93
IP(EA), eV:	-8.16(-0.35)
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-phenyl-1-(1H-1,2,4-triazol-5-yl)ethyl]amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(CCC2=C1)NC(=O)NCC3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations