Geometry & MOs

Info

ID:	136759
PubChem CID:	52095891
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	397.04809
ΔH_f, kcal/mol:	64.26
Dipole, Da:	3.82
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5CCCCC5

DOS

IR

Vibrations