Geometry & MOs

Info

ID:	155695
PubChem CID:	56366955
Reduced:	SN5O5C22H27 (1)
Stoich.:	AB5C5D22E27 (1)
Weight, g/mol:	430.177168
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	3.43
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-methyl-1-oxo-1-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations