Geometry & MOs

Info

ID:	165934
PubChem CID:	74616504
Reduced:	ClN2O6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	492.193474
ΔH_f, kcal/mol:	-203.83
Dipole, Da:	6.13
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-ethyl-1'-(3-morpholin-4-ylpropyl)-2,4',5'-trioxospiro[indole-3,2'-pyrrolidine]-3'-ylidene]-(4-fluorophenyl)methanolate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(COC2=CC=C(C=C2)Cl)O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations