Geometry & MOs

Info

ID:	424522
PubChem CID:	135122995
Reduced:	SN4O8C39H40 (1)
Stoich.:	AB4C8D39E40 (1)
Weight, g/mol:	496.94874
ΔH_f, kcal/mol:	-194.92
Dipole, Da:	2.04
IP(EA), eV:	-9.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-bromo-7'-iodo-1'-[(4-methoxyphenyl)methyl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)O)OCC4=CN(N=N4)CC5=CC(=CC=C5)C6=CC=C(C=C6)C(=O)O)C

DOS

IR

Vibrations