Geometry & MOs

Info

ID:	136773
PubChem CID:	52098282
Reduced:	BrSO2N5H14C15 (1)
Stoich.:	ABC2D5E14F15 (1)
Weight, g/mol:	476.037975
ΔH_f, kcal/mol:	57.94
Dipole, Da:	6.46
IP(EA), eV:	-9.03(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NN3C(=N)/C(=C/C4=CC=C(O4)Br)/C(=O)N=C3S2

DOS

IR

Vibrations