Geometry & MOs

Info

ID:	249398
PubChem CID:	103089167
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	326.005882
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	3.85
IP(EA), eV:	-8.4(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(CCCSC)C(=O)N

DOS

IR

Vibrations