Geometry & MOs

Info

ID:	275616
PubChem CID:	103816776
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	326.988755
ΔH_f, kcal/mol:	-118.28
Dipole, Da:	2.87
IP(EA), eV:	-9.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOCC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O

DOS

IR

Vibrations