Geometry & MOs

Info

ID:	63776
PubChem CID:	26759169
Reduced:	SCl2N2O3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	385.035099
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	2.8
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations