Geometry & MOs

Info

ID:	37833
PubChem CID:	8024956
Reduced:	OS2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	347.1333
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	5.54
IP(EA), eV:	-8.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3,5-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@H](C)SC2=NN=C(S2)NC3=CC=CC(=C3)C

DOS

IR

Vibrations