Geometry & MOs

Info

ID:	176274
PubChem CID:	76022253
Reduced:	N4O10C47H60 (1)
Stoich.:	A4B10C47D60 (1)
Weight, g/mol:	240.95385
ΔH_f, kcal/mol:	-329.3
Dipole, Da:	8.83
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethylidene)-6-fluoroisoindol-1-one

Drug info:

PubChemData

Smile

CC1CC=CC=CCC(OC(=O)C2CCCN(N2)C(=O)C(NC(=O)C(NC(=O)C(C1O)CCC(=O)C)C(C)C)CC3=CC(=CC=C3)O)C(=CC=CC(=O)OC4=CC=CC=C4)C

DOS

IR

Vibrations