Geometry & MOs

Info

ID:	64039
PubChem CID:	26759739
Reduced:	ClSN2O6C20H23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	-197.15
Dipole, Da:	9.02
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2)Cl)OC)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations