Geometry & MOs

Info

ID:	239000
PubChem CID:	93165835
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	4.44
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations