Geometry & MOs

Info

ID:	239001
PubChem CID:	93165836
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	3.82
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations