Geometry & MOs

Info

ID:	317996
PubChem CID:	126648244
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	518.18352
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	2.85
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,6S,6aR)-3-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidin-4-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=CC=C2NC1=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations