Geometry & MOs

Info

ID:	228161
PubChem CID:	87563552
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	287.943012
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	6.34
IP(EA), eV:	-9.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-pyridin-2-ylsulfonyl-1,2-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC1=NC2=C(CC(CC2)(C)C)C(=N1)Cl)C(=O)O

DOS

IR

Vibrations