Geometry & MOs

Info

ID:	54458
PubChem CID:	17388708
Reduced:	SN6O7C25H26 (1)
Stoich.:	AB6C7D25E26 (1)
Weight, g/mol:	320.074325
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	10.7
IP(EA), eV:	-8.26(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NN/C=C/2\C=CC(=O)C(=C2)OC)OCC(=O)NN/C=C\3/C=CC(=O)C(=C3)OC

DOS

IR

Vibrations