Geometry & MOs

Info

ID:	282091
PubChem CID:	103915731
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	1.92
IP(EA), eV:	-9.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)N2C[C@H]([C@H](C2)O)O

DOS

IR

Vibrations