Geometry & MOs

Info

ID:	193260
PubChem CID:	78366212
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	433.165799
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	5.12
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)N

DOS

IR

Vibrations