Geometry & MOs

Info

ID:	66805
PubChem CID:	46505296
Reduced:	S2O3N4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	472.033369
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	8.82
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-ethylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/C2=C(N3C(=NC2=O)SN=C3SCC)N)/C=CC1=O

DOS

IR

Vibrations