Geometry & MOs

Info

ID:	275597
PubChem CID:	103816735
Reduced:	ClFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	336.97721
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	3.82
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=C(C=CC=C3Cl)F)O

DOS

IR

Vibrations