Geometry & MOs

Info

ID:	185964
PubChem CID:	77373961
Reduced:	O3N5C18H18 (1)
Stoich.:	A3B5C18D18 (1)
Weight, g/mol:	867.597281
ΔH_f, kcal/mol:	29.72
Dipole, Da:	6.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.047084
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[2-[dodecanoyl(tetradecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[N+]1=C2C=CC(=CC2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5)O

DOS

IR

Vibrations