Geometry & MOs

Info

ID:	89507
PubChem CID:	49962171
Reduced:	ClSO3N6H9C11 (1)
Stoich.:	ABC3D6E9F11 (1)
Weight, g/mol:	362.89839
ΔH_f, kcal/mol:	58.61
Dipole, Da:	0.73
IP(EA), eV:	-8.73(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-[(2,4-dichlorophenyl)methyl]aniline

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=N\NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=S)N

DOS

IR

Vibrations