Geometry & MOs

Info

ID:	200562
PubChem CID:	79411233
Reduced:	NSO6C12H17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	337.999175
ΔH_f, kcal/mol:	-222.14
Dipole, Da:	6.46
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H]([C@H](C2)O)O)OC

DOS

IR

Vibrations