Geometry & MOs

Info

ID:	48668
PubChem CID:	11110364
Reduced:	SN4O4H12C14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	332.183503
ΔH_f, kcal/mol:	-94.48
Dipole, Da:	8.01
IP(EA), eV:	-9.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4R)-2,3-bis(2,2-dimethylpropanoyloxy)-4-hydroxypentanoate

Drug info:

PubChemData

Smile

C1C(=O)OC(N1)(NC(=O)/C=C\C2=NC(=O)C3=CC=CC=C3N2)S

DOS

IR

Vibrations