Geometry & MOs

Info

ID:	34094
PubChem CID:	7889784
Reduced:	NSF3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	383.101371
ΔH_f, kcal/mol:	-266.82
Dipole, Da:	7.56
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations