Geometry & MOs

Info

ID:	69341
PubChem CID:	46530752
Reduced:	SN4O4C24H36 (1)
Stoich.:	AB4C4D24E36 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	7.86
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]ethyl]benzoate

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)N4CCCCC4

DOS

IR

Vibrations