Geometry & MOs

Info

ID:	222095
PubChem CID:	85294000
Reduced:	ClSN4O4C29H35 (1)
Stoich.:	ABC4D4E29F35 (1)
Weight, g/mol:	571.130221
ΔH_f, kcal/mol:	-157.62
Dipole, Da:	10.12
IP(EA), eV:	-8.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-4-acetyloxy-2-phosphonooxy-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(C[NH3+])O.[Cl-]

DOS

IR

Vibrations