Geometry & MOs

Info

ID:	66808
PubChem CID:	46505301
Reduced:	FOS2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	516.069275
ΔH_f, kcal/mol:	39.89
Dipole, Da:	8.17
IP(EA), eV:	-8.59(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]-3-ethylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations