Geometry & MOs

Info

ID:	66800
PubChem CID:	46505288
Reduced:	S2N4O4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	440.061297
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	10.4
IP(EA), eV:	-9.02(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=N)N21

DOS

IR

Vibrations