Geometry & MOs

Info

ID:	66803
PubChem CID:	46505293
Reduced:	OS2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	387.118753
ΔH_f, kcal/mol:	59.83
Dipole, Da:	5.39
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[4-(diethylamino)phenyl]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=CC=C(C=C3)C(C)C)/C(=N)N21

DOS

IR

Vibrations