Geometry & MOs

Info

ID:	123387
PubChem CID:	50845451
Reduced:	F2O2N5H17C22 (1)
Stoich.:	A2B2C5D17E22 (1)
Weight, g/mol:	420.98959
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	1.17
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC5=CC(=CC=C5)F

DOS

IR

Vibrations