Geometry & MOs

Info

ID:	54463
PubChem CID:	17388718
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	9.91
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-oxo-N-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N/NC(=O)C2=CC(=O)N=C(N2)SC

DOS

IR

Vibrations