Geometry & MOs

Info

ID:	182929
PubChem CID:	76957703
Reduced:	NPO5H20C28F42 (1)
Stoich.:	ABC5D20E28F42 (1)
Weight, g/mol:	403.306239
ΔH_f, kcal/mol:	-2384.71
Dipole, Da:	3.17
IP(EA), eV:	-9.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S)-1-octadecanoylpyrrolidine-2-carboxylate

Drug info:

Smile

CC(C)(CO)N.C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations