Geometry & MOs

Info

ID:	178754
PubChem CID:	76377363
Reduced:	O4C23H40 (1)
Stoich.:	A4B23C40 (1)
Weight, g/mol:	569.299178
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	3.61
IP(EA), eV:	-9.67(0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[hydroxy(octyl)phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CC(CCCCCO)(CC=CC1CCC(=O)C1CCCCCCCO)O

DOS

IR

Vibrations