Geometry & MOs

Info

ID:	66767
PubChem CID:	46505230
Reduced:	SN2O2H8C10 (2)
Stoich.:	AB2C2D8E10 (2)
Weight, g/mol:	413.025246
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	6.6
IP(EA), eV:	-8.88(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-imino-3-methylsulfanyl-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC

DOS

IR

Vibrations