Geometry & MOs

Info

ID:	132776
PubChem CID:	51419236
Reduced:	O3C13H15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	479.025065
ΔH_f, kcal/mol:	-221.85
Dipole, Da:	1.94
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(benzenesulfonamido)-2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@]2([C@H](CC[C@@]2(C#C)OC(=O)C)[C@@H]3[C@H]1C4=C(CC3)C=C(C=C4)OC(=O)C)C

DOS

IR

Vibrations