Geometry & MOs

Info

ID:	37230
PubChem CID:	8018556
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	297.080121
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	8.77
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)N(C)CC(=O)NC2=CC=CC=C2SC

DOS

IR

Vibrations