Geometry & MOs

Info

ID:	61183
PubChem CID:	26706796
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	8.73
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations