Geometry & MOs

Info

ID:	66832
PubChem CID:	46505346
Reduced:	S2N4O5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	470.054104
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	6.18
IP(EA), eV:	-8.8(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC(=O)C)OC)/C(=N)N21

DOS

IR

Vibrations