Geometry & MOs

Info

ID:	123196
PubChem CID:	50836899
Reduced:	SN4O6H20C21 (1)
Stoich.:	AB4C6D20E21 (1)
Weight, g/mol:	411.060839
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	14.73
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3CC(=O)N(C3)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations