Geometry & MOs

Info

ID:	164497
PubChem CID:	74407070
Reduced:	PSN2O11C28H41 (1)
Stoich.:	ABC2D11E28F41 (1)
Weight, g/mol:	484.128053
ΔH_f, kcal/mol:	-526.73
Dipole, Da:	5.39
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)OP(=O)(CS(=O)(=O)C=CC1C2C(C(O1)N3CCC(=O)N(C3=O)CC4=CC=C(C=C4)OC)OC(O2)(C)C)OC(C)C

DOS

IR

Vibrations