Geometry & MOs

Info

ID:	334582
PubChem CID:	127253257
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	480.1452
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	3.84
IP(EA), eV:	-8.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)C5CC(=O)N(C5)CC6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations