Geometry & MOs

Info

ID:	46527
PubChem CID:	10525006
Reduced:	N2F3O3H15C21 (1)
Stoich.:	A2B3C3D15E21 (1)
Weight, g/mol:	400.059794
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	5.6
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[[hydroxy(phenyl)phosphinothioyl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\NC1=CC2=C(C=C1)N=CC=C2)/C(=O)C3=CC(=C(C=C3F)F)F

DOS

IR

Vibrations