Geometry & MOs

Info

ID:	228332
PubChem CID:	87563975
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	344.073182
ΔH_f, kcal/mol:	-207.84
Dipole, Da:	3.64
IP(EA), eV:	-9.67(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[[3-(1,3-thiazol-2-yl)-1H-indazol-6-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C[C@@H](C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)(O)O)C)C

DOS

IR

Vibrations