Geometry & MOs

Info

ID:	160478
PubChem CID:	57309826
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	256.004706
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	4.1
IP(EA), eV:	-9.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diaminophosphorylsulfanyl-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(C2=NC(=CC(=N2)OC)OC)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations