Geometry & MOs

Info

ID:	425980
PubChem CID:	135134188
Reduced:	N2S2O3C28H42 (1)
Stoich.:	A2B2C3D28E42 (1)
Weight, g/mol:	689.413897
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	5.95
IP(EA), eV:	-8.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C2=CC(=C(C=C2)NCC3CCOCC3)SC(C)(C)C

DOS

IR

Vibrations