Geometry & MOs

Info

ID:	374772
PubChem CID:	131342666
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	268.02113
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	1.85
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-amino-4-bromo-2,3-dihydro-1H-inden-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1SC=C2)CC(=O)OC)Br

DOS

IR

Vibrations