Geometry & MOs

Info

ID:	192345
PubChem CID:	78258552
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	403.198145
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	6.63
IP(EA), eV:	-9.2(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 4-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)COC(=O)CCC2=NC(=O)C3C4=C(CCCC4)SC3=N2

DOS

IR

Vibrations