Geometry & MOs

Info

ID:	79581
PubChem CID:	49829598
Reduced:	FSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	436.146166
ΔH_f, kcal/mol:	-230.25
Dipole, Da:	1.48
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations