Geometry & MOs

Info

ID:	271084
PubChem CID:	103643084
Reduced:	NSF2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNCC1=C(C=CC=C1F)F

DOS

IR

Vibrations