Geometry & MOs

Info

ID:	66823
PubChem CID:	46505331
Reduced:	ClOS2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	415.150053
ΔH_f, kcal/mol:	59.31
Dipole, Da:	6.27
IP(EA), eV:	-8.88(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)Cl)/C(=N)N21

DOS

IR

Vibrations