Geometry & MOs

Info

ID:	307938
PubChem CID:	125310803
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	516.3523
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	6.34
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6-oxohexyl]-11-aminoundecanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)S[C@H]1NN=C(N1C2=CC=C(C=C2)OC)CC3=NC(=O)NC(=O)C3

DOS

IR

Vibrations