Geometry & MOs

Info

ID:	123313
PubChem CID:	50841949
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	462.119561
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	11.06
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)OCC3=NN=C(O3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations