Geometry & MOs

Info

ID:	146638
PubChem CID:	53721670
Reduced:	NS2O5H15C20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	469.982405
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	6.23
IP(EA), eV:	-9.39(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-[(4-phenoxyphenyl)methoxy]benzene

Drug info:

PubChemData

Smile

C1C=C(N2[C@@H](S1)C(C2=O)SC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)CO)C(=O)O

DOS

IR

Vibrations