Geometry & MOs

Info

ID:

192355

PubChem CID:

78259862

Reduced:

SN2O2H10C11 (2)

Stoich.:

AB2C2D10E11 (2)

Weight, g/mol:

551.207664

ΔHf, kcal/mol:

26.93

Dipole, Da:

5.54

IP(EA), eV:

 -8.83(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

6-amino-5-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4C=CC(=CC4=N3)C(=O)OC

DOS

IR

Vibrations