Geometry & MOs

Info

ID:	163819
PubChem CID:	74380497
Reduced:	NO8C41H79 (1)
Stoich.:	AB8C41D79 (1)
Weight, g/mol:	802.664632
ΔH_f, kcal/mol:	-503.99
Dipole, Da:	7.91
IP(EA), eV:	-10.03(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-11-(dipentylamino)undecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCC)O

DOS

IR

Vibrations