Geometry & MOs

Info

ID:	424737
PubChem CID:	135123744
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	556.10314
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	3.87
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(C=C3)C)CO)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations