Geometry & MOs

Info

ID:	193112
PubChem CID:	78345547
Reduced:	SO4N5C27H31 (1)
Stoich.:	AB4C5D27E31 (1)
Weight, g/mol:	376.169488
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	11.78
IP(EA), eV:	-8.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[2-(2,5-dimethylphenyl)sulfanylacetyl]-3-methyl-1-(2-methylpropyl)-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC(=C1C=CC(=O)C=C1)NNC(=O)CSC2NNC(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations