Geometry & MOs

Info

ID:	154611
PubChem CID:	56314082
Reduced:	BrSO3N4H15C21 (1)
Stoich.:	ABC3D4E15F21 (1)
Weight, g/mol:	431.0081
ΔH_f, kcal/mol:	6.5
Dipole, Da:	3.24
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3,5-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations