Geometry & MOs

Info

ID:	167103
PubChem CID:	74779769
Reduced:	SN2O6C24H32 (1)
Stoich.:	AB2C6D24E32 (1)
Weight, g/mol:	459.172896
ΔH_f, kcal/mol:	-228.15
Dipole, Da:	6.4
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-methyl-7-(3-phenylprop-2-enoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=CC=C2)OC

DOS

IR

Vibrations