Geometry & MOs

Info

ID:	194526
PubChem CID:	78548991
Reduced:	ON2S2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	386.05176
ΔH_f, kcal/mol:	-0.5
Dipole, Da:	4.34
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)SC4CCCC4

DOS

IR

Vibrations