Geometry & MOs

Info

ID:	27089
PubChem CID:	814292
Reduced:	FSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	333.094726
ΔH_f, kcal/mol:	-49.77
Dipole, Da:	6.61
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-fluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1CN(CC(=O)NC2=NC=CS2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations