Geometry & MOs

Info

ID:	221502
PubChem CID:	85273789
Reduced:	S2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	4.09
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetamido-4-methoxy-3-phenylsulfanylbutyl) acetate

Drug info:

PubChemData

Smile

C1C(=C(C2C(S1)C(C2=O)N)C(=O)O)SCC3=CNN=C3

DOS

IR

Vibrations