Geometry & MOs

Info

ID:	238999
PubChem CID:	93165834
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	3.58
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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)C3=CC=CO3

DOS

IR

Vibrations