Geometry & MOs

Info

ID:	63297
PubChem CID:	26750529
Reduced:	ClSN2O6C19H21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	351.067364
ΔH_f, kcal/mol:	-200.3
Dipole, Da:	12.71
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations