Geometry & MOs

Info

ID:	392217
PubChem CID:	135013720
Reduced:	N2F3O4H29C30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	590.201082
ΔH_f, kcal/mol:	-259.09
Dipole, Da:	9.29
IP(EA), eV:	-7.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-diphenylphosphanylnaphthalen-1-yl)-3-[(2-hydroxyphenyl)methoxymethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CC1([C@H](C2=C(C=CC(=C2)OC)NC1C3=CC=C(C=C3)C(F)(F)F)C4=C(C5=C(C=C(C=C5)N(C)C)OC4=O)O)C

DOS

IR

Vibrations