Geometry & MOs

Info

ID:	434040
PubChem CID:	135174193
Reduced:	SO2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	409.143568
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	5.72
IP(EA), eV:	-8.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(=O)CCC1CCC(=C=O)S1

DOS

IR

Vibrations