Geometry & MOs

Info

ID:	27037
PubChem CID:	813293
Reduced:	FSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	335.110376
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	6.24
IP(EA), eV:	-9.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations