Geometry & MOs

Info

ID:	184860
PubChem CID:	77221431
Reduced:	SN4O7C22H32 (1)
Stoich.:	AB4C7D22E32 (1)
Weight, g/mol:	374.142426
ΔH_f, kcal/mol:	-282.99
Dipole, Da:	10.74
IP(EA), eV:	-9.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptane-1,2,3,4,5,6-hexol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2C(C(=O)NNC2C(=O)N)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations