Geometry & MOs

Info

ID:	194456
PubChem CID:	78539378
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	1.2
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC(C)C2=CC=CC=C2Br

DOS

IR

Vibrations