Geometry & MOs

Info

ID:	207126
PubChem CID:	80350440
Reduced:	Cl2O2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	298.99384
ΔH_f, kcal/mol:	25.83
Dipole, Da:	7.42
IP(EA), eV:	-9.11(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-(3-methoxyphenyl)sulfanylaniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations