Geometry & MOs

Info

ID:	298975
PubChem CID:	117664915
Reduced:	Cl2N2S2O5C20H24 (1)
Stoich.:	A2B2C2D5E20F24 (1)
Weight, g/mol:	434.214033
ΔH_f, kcal/mol:	-187.64
Dipole, Da:	2.91
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]acetaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1=CC=CC(=C1)CC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C

DOS

IR

Vibrations