Geometry & MOs

Info

ID:	187671
PubChem CID:	77606703
Reduced:	N5O5C31H35 (1)
Stoich.:	A5B5C31D35 (1)
Weight, g/mol:	330.095082
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	2.97
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C(=O)NC(CC(=O)O)C2=CC(=CC=C2)N)N(C3=CC4=C(C=C3)C=NC=C4)N)OC(C)C

DOS

IR

Vibrations