Geometry & MOs

Info

ID:	166838
PubChem CID:	74740992
Reduced:	SF2O3N5C21H27 (1)
Stoich.:	AB2C3D5E21F27 (1)
Weight, g/mol:	442.202776
ΔH_f, kcal/mol:	-189.24
Dipole, Da:	3.37
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CCCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)NC4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations