Geometry & MOs

Info

ID:	63767
PubChem CID:	26759150
Reduced:	N2S2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	367.04452
ΔH_f, kcal/mol:	-135.69
Dipole, Da:	8.64
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations