Geometry & MOs

Info

ID:	219097
PubChem CID:	85090512
Reduced:	NO5C34H51 (1)
Stoich.:	AB5C34D51 (1)
Weight, g/mol:	553.470624
ΔH_f, kcal/mol:	-240.05
Dipole, Da:	4.83
IP(EA), eV:	-8.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-amino-5-hydroxy-5-(hydroxymethyl)-17-oxo-2-pentadecylheptadec-2-enoic acid

Drug info:

PubChemData

Smile

CCCC(C)OC1=CC(=CC(=C1O)OC(C)CCC)C=CC(=O)NCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations