Geometry & MOs

Info

ID:

191107

PubChem CID:

78105473

Reduced:

P3N5O18C25H36 (1)

Stoich.:

A3B5C18D25E36 (1)

Weight, g/mol:

481.20603

ΔHf, kcal/mol:

-817.42

Dipole, Da:

7.42

IP(EA), eV:

 -8.71(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OCC2=CN(C3=NC(=NC(=O)C23)N)C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations