Geometry & MOs

Info

ID:	222039
PubChem CID:	85293561
Reduced:	ClSN3O6H18C22 (1)
Stoich.:	ABC3D6E18F22 (1)
Weight, g/mol:	488.95271
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	5.84
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(4-bromophenyl)-diethoxyphosphorylmethyl]methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations