Geometry & MOs

Info

ID:	141307
PubChem CID:	52857764
Reduced:	FNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	436.085971
ΔH_f, kcal/mol:	-158.95
Dipole, Da:	2.85
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCO[C@H]1CCCN(C1)S(=O)(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations