Geometry & MOs

Info

ID:	73852
PubChem CID:	48420728
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	5.14
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-tert-butyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3)C

DOS

IR

Vibrations