Geometry & MOs

Info

ID:	44820
PubChem CID:	10506043
Reduced:	SiO5C30H48 (1)
Stoich.:	AB5C30D48 (1)
Weight, g/mol:	515.00699
ΔH_f, kcal/mol:	-266.04
Dipole, Da:	3.71
IP(EA), eV:	-8.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(2E)-3-butyl-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]([C@@H](C(C)(C)CCCO)OCC1=CC=C(C=C1)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations