Geometry & MOs

Info

ID:	139481
PubChem CID:	52539628
Reduced:	NO4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	319.049047
ΔH_f, kcal/mol:	-113.79
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.214297
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-1-methyl-N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)C[NH2+][C@@H](C2=CC3=C(C=C2)OCCO3)C(C)C

DOS

IR

Vibrations