Geometry & MOs

Info

ID:	122774
PubChem CID:	50820991
Reduced:	FSO3N4C21H33 (1)
Stoich.:	ABC3D4E21F33 (1)
Weight, g/mol:	442.18054
ΔH_f, kcal/mol:	-161.53
Dipole, Da:	2.94
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCN(CCS(=O)(=O)N2CCNCC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations