Geometry & MOs

Info

ID:	307928
PubChem CID:	125310780
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	525.133853
ΔH_f, kcal/mol:	-70.48
Dipole, Da:	4.71
IP(EA), eV:	-9.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-[(Z)-N-hydroxy-C-[4-[(S)-methylsulfinyl]butyl]carbonimidoyl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)[C@@H]1C(=O)C)C)C

DOS

IR

Vibrations