Geometry & MOs

Info

ID:	139753
PubChem CID:	52589576
Reduced:	BrN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	473.14207
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	4.66
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

DOS

IR

Vibrations