Geometry & MOs

Info

ID:	291658
PubChem CID:	113456186
Reduced:	BrFOSN2H10C12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-14.7
Dipole, Da:	4.49
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)N)S(=O)CC2=CC(=CN=C2)Br

DOS

IR

Vibrations