Geometry & MOs

Info

ID:	219467
PubChem CID:	85148716
Reduced:	FN4O5C27H33 (1)
Stoich.:	AB4C5D27E33 (1)
Weight, g/mol:	513.169547
ΔH_f, kcal/mol:	-209.33
Dipole, Da:	9.18
IP(EA), eV:	-8.74(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]-2-pyridin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC(=C(C3=O)CO)C(CC)(C(=O)NCCN(C)C)O)C2=NC4=CC(=C(C=C41)OC)F

DOS

IR

Vibrations