Geometry & MOs

Info

ID:	434762
PubChem CID:	135175657
Reduced:	BrSF2N3O4C34H40 (1)
Stoich.:	ABC2D3E4F34G40 (1)
Weight, g/mol:	293.08635
ΔH_f, kcal/mol:	-231.66
Dipole, Da:	8.01
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-difluoro-3-(4-phenoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)N([C@H](C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Br)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations