Geometry & MOs

Info

ID:	132379
PubChem CID:	51351505
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	757.209401
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	1.49
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(E)-benzylideneamino]carbamothioylamino]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCC1=CN(N=N1)C2=CC(=C(C=C2)O)C(=O)NCCC

DOS

IR

Vibrations