Geometry & MOs

Info

ID:	221340
PubChem CID:	85267785
Reduced:	SO2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	406.220283
ΔH_f, kcal/mol:	33.94
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-hydroxy-5-(2-hydroxyethyl)-4-(methoxymethoxy)oxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1C(C2=CC=CC=C2C3=CC=CC=C13)N4C=NC5=C(N=CN=C54)N

DOS

IR

Vibrations