Geometry & MOs

Info

ID:	175307
PubChem CID:	75881091
Reduced:	N4O6C23H30 (1)
Stoich.:	A4B6C23D30 (1)
Weight, g/mol:	464.10074
ΔH_f, kcal/mol:	-189.58
Dipole, Da:	3.38
IP(EA), eV:	-8.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[6-(2-methylmorpholin-4-yl)pyridin-1-ium-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=NC=C(C=C2)CNC(=O)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations