Geometry & MOs

Info

ID:	361744
PubChem CID:	127304560
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	396.107854
ΔH_f, kcal/mol:	6.33
Dipole, Da:	4.21
IP(EA), eV:	-9.5(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=CS2)C3=CC=NC=C3)C(=O)C4=CC5=C(COC5)C=C4

DOS

IR

Vibrations