Geometry & MOs

Info

ID:	187113
PubChem CID:	77530938
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	548.126963
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	8.61
IP(EA), eV:	-8.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-3-[6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-cyclohexene]-1'-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(C=CS2)C(=O)N3CC4CC4C3CNC(=O)OC5=CC=CC6=C5NCCO6

DOS

IR

Vibrations