Geometry & MOs

Info

ID:	66795
PubChem CID:	46505280
Reduced:	O2S3N4H16C19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	512.118812
ΔH_f, kcal/mol:	67.05
Dipole, Da:	4.59
IP(EA), eV:	-8.6(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)SC4=CC=C(C=C4)C)/C(=N)N21

DOS

IR

Vibrations