Geometry & MOs

Info

ID:	239016
PubChem CID:	93165871
Reduced:	SN2O2C21H30 (1)
Stoich.:	AB2C2D21E30 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	4.36
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations