Geometry & MOs

Info

ID:	218938
PubChem CID:	85090206
Reduced:	N2O7C30H32 (1)
Stoich.:	A2B7C30D32 (1)
Weight, g/mol:	532.077616
ΔH_f, kcal/mol:	-187.77
Dipole, Da:	6.64
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-2-[3-(5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(N(C=C2)C(=O)OCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations