Geometry & MOs

Info

ID:	239025
PubChem CID:	93165882
Reduced:	SN2O2C22H30 (1)
Stoich.:	AB2C2D22E30 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	4.96
IP(EA), eV:	-8.9(-0.66)
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]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=C(C=C2)C)C(=O)C3CCCC3

DOS

IR

Vibrations