Geometry & MOs

Info

ID:	444632
PubChem CID:	135263053
Reduced:	BrSN2O5H21C22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	6.52
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-oxo-2,3-dihydroinden-5-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)NS(=O)(=O)CO4)Br

DOS

IR

Vibrations