Geometry & MOs

Info

ID:	243567
PubChem CID:	99226878
Reduced:	ClSN3O6H16C20 (1)
Stoich.:	ABC3D6E16F20 (1)
Weight, g/mol:	399.108662
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	4.67
IP(EA), eV:	-9.18(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OCC3=CN=CC=C3)Cl

DOS

IR

Vibrations