Geometry & MOs

Info

ID:	424524
PubChem CID:	135122998
Reduced:	SN4O8C40H42 (1)
Stoich.:	AB4C8D40E42 (1)
Weight, g/mol:	256.96517
ΔH_f, kcal/mol:	-208.8
Dipole, Da:	5.36
IP(EA), eV:	-9.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(2,4-difluorophenyl)pyrrole

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)O)OCC4=CN(N=N4)CC5=CC(=CC=C5)C6=CC(=CC=C6)C(=O)O)C

DOS

IR

Vibrations