Geometry & MOs

Info

ID:	433878
PubChem CID:	135174021
Reduced:	N3O8C32H39 (1)
Stoich.:	A3B8C32D39 (1)
Weight, g/mol:	515.128486
ΔH_f, kcal/mol:	-283.6
Dipole, Da:	8.45
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCC(C)(C)NC(C(=O)COC2=CC=CC=C2)OC[C@@H]3C(=O)C([C@@H](O3)N4C=CC(=O)NC4=O)(C)C

DOS

IR

Vibrations