Geometry & MOs

Info

ID:	414045
PubChem CID:	135086998
Reduced:	NPSO4C17H21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	346.169782
ΔH_f, kcal/mol:	-139.37
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868581
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl-(3,5-dimethylphenoxy)phosphoryl]oxy-3,5-dimethylbenzene

Drug info:

PubChemData

Smile

CCO[P+](=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations