Geometry & MOs

Info

ID:	373186
PubChem CID:	131311252
Reduced:	NBr2F2O2C9H9 (1)
Stoich.:	AB2C2D2E9F9 (1)
Weight, g/mol:	312.93168
ΔH_f, kcal/mol:	-166.18
Dipole, Da:	2.48
IP(EA), eV:	-9.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(2-bromo-3-chlorophenyl)-2,2-difluoropropanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)O)Br)[C@@H](C(CO)(F)F)N

DOS

IR

Vibrations