Geometry & MOs

Info

ID:	207785
PubChem CID:	80449625
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	294.176585
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	9.05
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(4-ethylazepan-1-yl)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(C)C2CCCCC2)C(=O)O

DOS

IR

Vibrations