Geometry & MOs

Info

ID:	73268
PubChem CID:	48417323
Reduced:	BrFO2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	396.98442
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	3.55
IP(EA), eV:	-9.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-4-bromobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations