Geometry & MOs

Info

ID:	313862
PubChem CID:	126618235
Reduced:	SN4O6H14C16 (1)
Stoich.:	AB4C6D14E16 (1)
Weight, g/mol:	382.95754
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	3.93
IP(EA), eV:	-9.33(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(4-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=N2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations