Geometry & MOs

Info

ID:	58474
PubChem CID:	24701989
Reduced:	BrFON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	292.04819
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	1.97
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioylphenyl)-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC(=O)CCCN

DOS

IR

Vibrations