Geometry & MOs

Info

ID:	155614
PubChem CID:	56366317
Reduced:	ClSN4O4C21H25 (1)
Stoich.:	ABC4D4E21F25 (1)
Weight, g/mol:	409.02872
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	4.95
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3)Cl

DOS

IR

Vibrations