Geometry & MOs

Info

ID:	239052
PubChem CID:	93165923
Reduced:	SN2O2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	3.37
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C)C(=O)C3=CC=CC=C3C

DOS

IR

Vibrations