Geometry & MOs

Info

ID:	161648
PubChem CID:	57392248
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	561.108701
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	8.58
IP(EA), eV:	-9.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4-sulfamoylphenyl)carbamothioylamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)/C=C/C)N)C(=O)O

DOS

IR

Vibrations