Geometry & MOs

Info

ID:	132845
PubChem CID:	51431439
Reduced:	OSN4C21H34 (1)
Stoich.:	ABC4D21E34 (1)
Weight, g/mol:	320.052744
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	3.92
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(4S)-2-(cyanomethylsulfanyl)-6-methyl-4-thiophen-2-yl-4H-pyrimidin-5-ylidene]-ethoxymethanolate

Drug info:

PubChemData

Smile

CCCCSC1=NN=C2N1C3CCCCC3C(=O)N2C4CCC(CC4C)C

DOS

IR

Vibrations