Geometry & MOs

Info

ID:	218091
PubChem CID:	85088855
Reduced:	ClO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	428.152991
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	2.84
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyethoxy]oxan-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C2=NC(=NC=C2)NC(C)C)C)C(=O)NC(CO)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations