Geometry & MOs

Info

ID:	175309
PubChem CID:	75881093
Reduced:	BrSO2N3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	438.06785
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	2.31
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-iodo-N-[[6-(2-methylmorpholin-4-yl)pyridin-1-ium-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=NC=C(C=C2)CNC(=O)CSC3=C(C=C(C(=C3)C)Br)C

DOS

IR

Vibrations