Geometry & MOs

Info

ID:	63781
PubChem CID:	26759177
Reduced:	ClNSF2O3H14C17 (1)
Stoich.:	ABCD2E3F14G17 (1)
Weight, g/mol:	385.035099
ΔH_f, kcal/mol:	-178.78
Dipole, Da:	3.97
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations