Geometry & MOs

Info

ID:	66773
PubChem CID:	46505241
Reduced:	ClS2N4O4H21C23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	422.087118
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	3.25
IP(EA), eV:	-8.86(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-imino-6-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SC)OCCOC4=CC=CC=C4Cl

DOS

IR

Vibrations