Geometry & MOs

Info

ID:	27036
PubChem CID:	813081
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	335.110376
ΔH_f, kcal/mol:	25.71
Dipole, Da:	6.3
IP(EA), eV:	-9.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations