Geometry & MOs

Info

ID:	148471
PubChem CID:	53788133
Reduced:	ClS2N4O4H13C16 (1)
Stoich.:	AB2C4D4E13F16 (1)
Weight, g/mol:	656.252765
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	2.84
IP(EA), eV:	-9.17(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxybutoxy-(3-acetyloxypropoxy)-hydroxymethyl] 2-[2-acetyloxy-2-(2-propanoyloxyethoxy)ethoxy]-3-(2-formyloxyethoxy)propanoate

Drug info:

PubChemData

Smile

CN1C(C(=O)C2=C(S1(=O)=O)C3=C(N2C)C=C(C=C3)Cl)C(=O)NC4=NC=CS4

DOS

IR

Vibrations