Geometry & MOs

Info

ID:	189915
PubChem CID:	77922727
Reduced:	ION3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	423.174061
ΔH_f, kcal/mol:	36.04
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.937722
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(2-methylpropanoyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)I)C(=O)NC[N+]2=CC=NC=C2

DOS

IR

Vibrations