Geometry & MOs

Info

ID:	136772
PubChem CID:	52098281
Reduced:	SO4N6H20C22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	407.00516
ΔH_f, kcal/mol:	64.48
Dipole, Da:	9.87
IP(EA), eV:	-9.12(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)N5CCCCC5

DOS

IR

Vibrations