Geometry & MOs

Info

ID:	362165
PubChem CID:	127305854
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-186.39
Dipole, Da:	12.86
IP(EA), eV:	-9.22(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-1,3-thiazol-4-yl)-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations