Geometry & MOs

Info

ID:	207783
PubChem CID:	80449426
Reduced:	BrNOSC13H20 (1)
Stoich.:	ABCDE13F20 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	4.47
IP(EA), eV:	-8.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CS(=O)C1=CC=C(C=C1)Br)C(C)C

DOS

IR

Vibrations