Geometry & MOs

Info

ID:

383471

PubChem CID:

134975213

Reduced:

O7C34H58 (1)

Stoich.:

A7B34C58 (1)

Weight, g/mol:

315.104148

ΔHf, kcal/mol:

-389.9

Dipole, Da:

1.91

IP(EA), eV:

 -9.6(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-(dimethylaminomethylidene)-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-triene-6,16-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H]3CC[C@@H](O3)CC[C@H](CC4=C[C@@H](OC4=O)C)O)O

DOS

IR

Vibrations