Geometry & MOs

Info

ID:	63448
PubChem CID:	26758363
Reduced:	O3N5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	5.31
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations