Geometry & MOs

Info

ID:	197393
PubChem CID:	78961891
Reduced:	BrNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	229.055049
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	5.76
IP(EA), eV:	-9.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2,6-difluorophenyl)-3-formamidopropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H](CC(=O)O)NC=O)Br

DOS

IR

Vibrations