Geometry & MOs

Info

ID:	424648
PubChem CID:	135123478
Reduced:	SO4N6C38H46 (1)
Stoich.:	AB4C6D38E46 (1)
Weight, g/mol:	413.06266
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	3.5
IP(EA), eV:	-8.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=C(C=C2)C(C3=CC(=C(C=C3)C)CN4CC(OC5=CC=CC=C5S4(O)O)CC)C(C)(C)C(=O)NC6=CN=CC=C6)C)N=N1

DOS

IR

Vibrations