Geometry & MOs

Info

ID:	233109
PubChem CID:	87692420
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	480.133315
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	3.7
IP(EA), eV:	-8.35(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethyl-2-(pyridin-3-ylmethyl)butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C/C=N\S(=O)C(C)(C)C

DOS

IR

Vibrations