Geometry & MOs

Info

ID:	32974
PubChem CID:	7849897
Reduced:	ClFNSO5H15C17 (1)
Stoich.:	ABCDE5F15G17 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-220.43
Dipole, Da:	8.66
IP(EA), eV:	-9.08(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations