Geometry & MOs

Info

ID:	156280
PubChem CID:	56369931
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	418.06405
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	7.25
IP(EA), eV:	-8.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations