Geometry & MOs

Info

ID:	376104
PubChem CID:	134222107
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	518.151158
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	3.58
IP(EA), eV:	-8.92(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazinane-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@H]2C(=O)NC(=O)S2)OCCC3=NC=C(C=C3)CC=O

DOS

IR

Vibrations