Geometry & MOs

Info

ID:	189550
PubChem CID:	77871571
Reduced:	ClNO5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	528.00407
ΔH_f, kcal/mol:	-218.37
Dipole, Da:	6.79
IP(EA), eV:	-9.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]-4-methylphenyl]-1-thiomorpholin-4-ylmethanimine

Drug info:

PubChemData

Smile

CC(C(=O)O)N.C1=CC(=CC=C1C(C(=O)O)O)Cl

DOS

IR

Vibrations