Geometry & MOs

Info

ID:	179549
PubChem CID:	76496215
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	938.695933
ΔH_f, kcal/mol:	-257.89
Dipole, Da:	6.74
IP(EA), eV:	-10.31(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-[1,3-di(hexadecanoyloxy)propan-2-yloxy]-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(C)(C1CCC(C1CCCCCC(=O)O)O)O

DOS

IR

Vibrations