Geometry & MOs

Info

ID:	155557
PubChem CID:	56365893
Reduced:	ClFSN2O2C24H24 (1)
Stoich.:	ABCD2E2F24G24 (1)
Weight, g/mol:	482.278072
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.98
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3,4,5-triethoxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

DOS

IR

Vibrations