Geometry & MOs

Info

ID:	159614
PubChem CID:	57288537
Reduced:	F3O4N5H18C19 (1)
Stoich.:	A3B4C5D18E19 (1)
Weight, g/mol:	411.159945
ΔH_f, kcal/mol:	-202.81
Dipole, Da:	4.61
IP(EA), eV:	-9.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[benzyl(hydroxy)phosphoryl]amino]-4-naphthalen-1-ylhexanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F)OC(C)C(=O)OC)C

DOS

IR

Vibrations