Geometry & MOs

Info

ID:	327418
PubChem CID:	126689843
Reduced:	N5O6C43H43 (1)
Stoich.:	A5B6C43D43 (1)
Weight, g/mol:	374.303224
ΔH_f, kcal/mol:	-90.67
Dipole, Da:	8.89
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl 9-hydroxyoctadecanoate

Drug info:

PubChemData

Smile

CC(C)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC8=CC=CC=C8CN7C6=O)OC

DOS

IR

Vibrations