Geometry & MOs

Info

ID:	32821
PubChem CID:	7848664
Reduced:	ClFNSO5H17C18 (1)
Stoich.:	ABCDE5F17G18 (1)
Weight, g/mol:	360.115521
ΔH_f, kcal/mol:	-200.96
Dipole, Da:	3.04
IP(EA), eV:	-9.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Cl)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations