Geometry & MOs

Info

ID:	239078
PubChem CID:	93165954
Reduced:	FSN2O4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	2.43
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=C(C=CC=C2OC)OC)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations