Geometry & MOs

Info

ID:	66788
PubChem CID:	46505270
Reduced:	S3N4O4H16C20 (1)
Stoich.:	A3B4C4D16E20 (1)
Weight, g/mol:	461.968181
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.31
IP(EA), eV:	-8.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SC)OC(=O)C4=CC=CS4

DOS

IR

Vibrations