Geometry & MOs

Info

ID:	155429
PubChem CID:	56355139
Reduced:	O2S2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	484.17254
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	4.56
IP(EA), eV:	-8.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-5-(4-bromophenyl)-N-propylpentanamide

Drug info:

PubChemData

Smile

CCN(C)C1=CC=CC(=C1)NC(=O)CCSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations