Geometry & MOs

Info

ID:	207745
PubChem CID:	80444026
Reduced:	ON2S2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	0.67
Dipole, Da:	5.66
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N2CCC3=C(C2C)C=CS3)C=O

DOS

IR

Vibrations