Geometry & MOs

Info

ID:	424738
PubChem CID:	135123745
Reduced:	BrSN2O4C27H29 (1)
Stoich.:	ABC2D4E27F29 (1)
Weight, g/mol:	556.10314
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	4.61
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-1'-[(4-methoxyphenyl)methyl]-5'-[(Z)-3-methylsulfanyl-3-morpholin-4-ylprop-2-enoyl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3Br)C(=O)/C=C(\N4CCOCC4)/SC)C5(C2=O)CCC5

DOS

IR

Vibrations