Geometry & MOs

Info

ID:	334746
PubChem CID:	127253421
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	524.117271
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	5.2
IP(EA), eV:	-8.19(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations