Geometry & MOs

Info

ID:	396426
PubChem CID:	135028403
Reduced:	O9C26H32 (1)
Stoich.:	A9B26C32 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-342.42
Dipole, Da:	4.56
IP(EA), eV:	-8.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4aS,5S,13bS)-11,12-dimethoxy-3,6-dioxo-4a,5,8,9-tetrahydro-4H-indolo[7a,1-a]isoquinoline-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@@H](C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO

DOS

IR

Vibrations