Geometry & MOs

Info

ID:	186820
PubChem CID:	77490912
Reduced:	ClOSN5C26H30 (1)
Stoich.:	ABCD5E26F30 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	25.98
Dipole, Da:	7.1
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(5-phenyl-1,3-oxazol-4-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)Cl)C5CC(NC5)C(=O)N6CCSC6

DOS

IR

Vibrations