Geometry & MOs

Info

ID:	238997
PubChem CID:	93165831
Reduced:	FSN2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	398.146427
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	4.31
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-fluoro-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations