Geometry & MOs

Info

ID:	315988
PubChem CID:	126629568
Reduced:	FO2N6C25H35 (1)
Stoich.:	AB2C6D25E35 (1)
Weight, g/mol:	429.228025
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	4.73
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetamido-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC/1C/C=C(/N=N/C=C1/C2=CC=C(C=C2)F)\N3CCN(CC3)CC(=O)NCC4CN(CCO4)C

DOS

IR

Vibrations