Geometry & MOs

Info

ID:	319820
PubChem CID:	126657352
Reduced:	OSN3C16H29 (1)
Stoich.:	ABC3D16E29 (1)
Weight, g/mol:	358.12772
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	4.24
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[S@@](=O)NC(CCCN(C)C)C1=NC=C(C=C1)C

DOS

IR

Vibrations