Geometry & MOs

Info

ID:	155550
PubChem CID:	56365886
Reduced:	ClSN2O2C23H27 (1)
Stoich.:	ABC2D2E23F27 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-54.88
Dipole, Da:	6.74
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1-benzoylpiperidin-4-yl)-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3Cl

DOS

IR

Vibrations