Geometry & MOs

Info

ID:	275598
PubChem CID:	103816737
Reduced:	BrNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	3.8
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=CSC(=C3)Br)O

DOS

IR

Vibrations