Geometry & MOs

Info

ID:	45910
PubChem CID:	10518983
Reduced:	SN4O5H10C11 (1)
Stoich.:	AB4C5D10E11 (1)
Weight, g/mol:	310.06368
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	5.78
IP(EA), eV:	-9.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-yl)methanimine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N2C(=O)C=CC(=N2)NN)C(=O)O

DOS

IR

Vibrations