Geometry & MOs

Info

ID:	155438
PubChem CID:	56365480
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	491.224263
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	2.27
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations