Geometry & MOs

Info

ID:	249391
PubChem CID:	103089144
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	311.990232
ΔH_f, kcal/mol:	36.45
Dipole, Da:	2.58
IP(EA), eV:	-8.5(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(CCCSC)C#N

DOS

IR

Vibrations