Geometry & MOs

Info

ID:	63452
PubChem CID:	26758372
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	382.99686
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	6.85
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H](CC(C1)(C)C)N(C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations