Geometry & MOs

Info

ID:	149735
PubChem CID:	53789410
Reduced:	NCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	350.988755
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	2.67
IP(EA), eV:	-7.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl 2-[2-cyano-5-(2,4-dichlorophenoxy)phenyl]ethanethioate

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C(=C(N2C3=C(C=CC=C3Cl)Cl)O)O

DOS

IR

Vibrations