Geometry & MOs

Info

ID:

132697

PubChem CID:

51402592

Reduced:

O3N5C18H32 (1)

Stoich.:

A3B5C18D32 (1)

Weight, g/mol:

263.109233

ΔHf, kcal/mol:

-115.95

Dipole, Da:

3.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753790

Charge, e:

 2

Chem-info

IUPAC name:

14,14-dimethyl-13-oxa-10-thia-3-aza-6,8-diazoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraene

Drug info:

PubChemData

Smile

CNC(=O)C1CC2C(NC3CCCCN3C2=O)[NH+](C1N)C[C@@H]4CCCO4

DOS

IR

Vibrations