Geometry & MOs

Info

ID:	63294
PubChem CID:	26750505
Reduced:	ClSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-136.69
Dipole, Da:	5.98
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CCC(=O)NNC(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations