Geometry & MOs

Info

ID:	66820
PubChem CID:	46505328
Reduced:	FOS2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	389.061632
ΔH_f, kcal/mol:	20.08
Dipole, Da:	5.91
IP(EA), eV:	-8.86(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-imino-3-(2-methylpropylsulfanyl)-6-[(4-nitrophenyl)methylidene]-[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)F)/C(=N)N21

DOS

IR

Vibrations