Geometry & MOs

Info

ID:	224954
PubChem CID:	85735124
Reduced:	ClFNO2C27H47 (1)
Stoich.:	ABCD2E27F47 (1)
Weight, g/mol:	435.351258
ΔH_f, kcal/mol:	-236.86
Dipole, Da:	5.45
IP(EA), eV:	-9.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl 2-amino-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=C(C=C1)F)N.Cl

DOS

IR

Vibrations