Geometry & MOs

Info

ID:	178501
PubChem CID:	76337767
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	461.149716
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	3.76
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperidin-1-yl-N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]pyridine-4-carboximidamide

Drug info:

PubChemData

Smile

CCN1C2NN=C(N2C3CCCCC3C1=O)CSC4=CC=C(C=C4)O

DOS

IR

Vibrations