Geometry & MOs

Info

ID:	156016
PubChem CID:	56368791
Reduced:	SN5O5C20H25 (1)
Stoich.:	AB5C5D20E25 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-153.39
Dipole, Da:	5.05
IP(EA), eV:	-9.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]ethyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations