Geometry & MOs

Info

ID:	43265
PubChem CID:	10320404
Reduced:	O3C28H44 (1)
Stoich.:	A3B28C44 (1)
Weight, g/mol:	429.114713
ΔH_f, kcal/mol:	-161.74
Dipole, Da:	2.36
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](/C=C/[C@@H](C)C(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations