Geometry & MOs

Info

ID:	129931
PubChem CID:	51074304
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	339.105291
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	4.03
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations