Geometry & MOs

Info

ID:	66815
PubChem CID:	46505314
Reduced:	O2S2N5C21H21 (1)
Stoich.:	A2B2C5D21E21 (1)
Weight, g/mol:	470.071862
ΔH_f, kcal/mol:	52.09
Dipole, Da:	8.89
IP(EA), eV:	-8.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=C4OC)C)/C(=N)N21

DOS

IR

Vibrations