Geometry & MOs

Info

ID:	146938
PubChem CID:	53774824
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	527.097769
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	5.12
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dichloroprop-2-enoxy)-3-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]propan-1-imine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)O)N)C2=CSC=C2

DOS

IR

Vibrations