Geometry & MOs

Info

ID:	319896
PubChem CID:	126657509
Reduced:	N6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	873.763284
ΔH_f, kcal/mol:	94.82
Dipole, Da:	9.41
IP(EA), eV:	-8.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S,4R)-1-[(1S,2S)-1-[(3R)-1,3-dihydroxybutan-2-yl]oxy-2,3-dihydroxypropoxy]-3,4-dihydroxyoctadecan-2-yl]hexacosanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3C=CN(C3=NC(=N2)C#N)C)NCC(C)(C)N4CCCC4

DOS

IR

Vibrations