Geometry & MOs

Info

ID:	217414
PubChem CID:	85087780
Reduced:	SN5O5C14H19 (1)
Stoich.:	AB5C5D14E19 (1)
Weight, g/mol:	361.152537
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	7.78
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[3-[(3-methylphenyl)methyl]pyridin-2-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CC2C(CC1[N+](=O)[O-])C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations