Geometry & MOs

Info

ID:	148260
PubChem CID:	53787922
Reduced:	FSN3O6C18H20 (1)
Stoich.:	ABC3D6E18F20 (1)
Weight, g/mol:	251.128645
ΔH_f, kcal/mol:	-254.56
Dipole, Da:	8.54
IP(EA), eV:	-9.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl (2-ethylcyclohexyl) hydrogen phosphate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)C(C2=O)(C(=O)OC)NC(=O)C(C3=CC=C(C=C3)F)N)C(=O)O)C

DOS

IR

Vibrations