Geometry & MOs

Info

ID:	176717
PubChem CID:	76087046
Reduced:	BSO4N6C19H37 (1)
Stoich.:	ABC4D6E19F37 (1)
Weight, g/mol:	296.121966
ΔH_f, kcal/mol:	-227.58
Dipole, Da:	1.68
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-acetyl-N'-(1,2,3,4,5,6-hexahydroxyhexyl)acetohydrazide

Drug info:

PubChemData

Smile

B(C)(NCC(C(=O)N=C(NC(=O)C)SC)N(C)C(=O)CC(C)CCCN(C)C(=N)C)O

DOS

IR

Vibrations