Geometry & MOs

Info

ID:	63790
PubChem CID:	26759192
Reduced:	ClFNSO3H17C18 (1)
Stoich.:	ABCDE3F17G18 (1)
Weight, g/mol:	381.06017
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	5.12
IP(EA), eV:	-8.89(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl)F

DOS

IR

Vibrations