Geometry & MOs

Info

ID:	17649
PubChem CID:	509765
Reduced:	SO4N5H19C22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	449.115775
ΔH_f, kcal/mol:	75.33
Dipole, Da:	2.24
IP(EA), eV:	-9.29(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dihydroxyamino)-N-[5-(3,3-diphenylpropylimino)-1,3,4-thiadiazol-2-ylidene]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCN=C2N=NC(=NC(=O)C3=CC=C(O3)N(O)O)S2)C4=CC=CC=C4

DOS

IR

Vibrations