Geometry & MOs

Info

ID:	47264
PubChem CID:	10531023
Reduced:	N2O8C31H38 (1)
Stoich.:	A2B8C31D38 (1)
Weight, g/mol:	566.278072
ΔH_f, kcal/mol:	-318.23
Dipole, Da:	3.38
IP(EA), eV:	-9.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2,5-bis[1-(2-methylbutan-2-yl)indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CC/C=C(/C(=O)OC)\NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations