Geometry & MOs

Info

ID:	190711
PubChem CID:	78046220
Reduced:	N5O9C25H35 (1)
Stoich.:	A5B9C25D35 (1)
Weight, g/mol:	460.303618
ΔH_f, kcal/mol:	-349.89
Dipole, Da:	2.99
IP(EA), eV:	-9.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-[3,4,5-trihydroxy-2-(hydroxymethyl)oxan-4-yl]oxyoctadec-9-enoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)ON)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CO)N(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations