Geometry & MOs

Info

ID:	239006
PubChem CID:	93165847
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	398.146427
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	4.26
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-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)C3CC3

DOS

IR

Vibrations