Geometry & MOs

Info

ID:	250630
PubChem CID:	103098001
Reduced:	OF2N2S2H10C13 (1)
Stoich.:	AB2C2D2E10F13 (1)
Weight, g/mol:	300.96623
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	4.92
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2,6-difluoropyridin-3-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCC2=C1SC(=C2)C(=O)NC3=C(N=C(C=C3)F)F

DOS

IR

Vibrations