Geometry & MOs

Info

ID:	197507
PubChem CID:	78972712
Reduced:	OF3N3C12H22 (1)
Stoich.:	AB3C3D12E22 (1)
Weight, g/mol:	396.88105
ΔH_f, kcal/mol:	-227.44
Dipole, Da:	4.42
IP(EA), eV:	-9.04(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-bromo-2-iodobenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)N1CCN(CC1)CC(F)(F)F

DOS

IR

Vibrations