Geometry & MOs

Info

ID:	179341
PubChem CID:	76468783
Reduced:	N2O3H24C27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	505.263544
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	3.98
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[12-oxo-12-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]dodecanoyl]amino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(C)C2=CN(C=N2)C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

DOS

IR

Vibrations