Geometry & MOs

Info

ID:

44941

PubChem CID:

10506683

Reduced:

O6C33H50 (1)

Stoich.:

A6B33C50 (1)

Weight, g/mol:

443.168777

ΔHf, kcal/mol:

-326.16

Dipole, Da:

4.63

IP(EA), eV:

 -9.35(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(5E)-4-acetamido-5-[(5Z)-2-(dimethylamino)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-ylidene]-1,3-thiazol-2-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C(=O)OC)C)C)C

DOS

IR

Vibrations