Geometry & MOs

Info

ID:

147273

PubChem CID:

53786928

Reduced:

SN6O7H19C21 (1)

Stoich.:

AB6C7D19E21 (1)

Weight, g/mol:

442.253983

ΔHf, kcal/mol:

-68.12

Dipole, Da:

4.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054015

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[bis(3-aminopropyl)amino]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CON=C(C1=NOC(=C1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)OC=C5)C(=O)O

DOS

IR

Vibrations