Geometry & MOs

Info

ID:	238984
PubChem CID:	93165813
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	426.177727
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	5.0
IP(EA), eV:	-9.02(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC[C@@H]1C2=C(CCN1S(=O)(=O)C)C=C(C=C2)C

DOS

IR

Vibrations