Geometry & MOs

Info

ID:	34380
PubChem CID:	7891021
Reduced:	NS2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	417.070465
ΔH_f, kcal/mol:	-55.54
Dipole, Da:	5.15
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CS3

DOS

IR

Vibrations