Geometry & MOs

Info

ID:	217568
PubChem CID:	85088012
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	376.173332
ΔH_f, kcal/mol:	13.01
Dipole, Da:	7.53
IP(EA), eV:	-9.15(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(hydroxymethyl)-1,3a-dimethyl-7a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7-tetrahydro-2-benzofuran-5-one

Drug info:

PubChemData

Smile

C1C(C2C(NC1C3=CC=C(C=C3)[N+](=O)[O-])NC(=S)NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations