Geometry & MOs

Info

ID:

141992

PubChem CID:

52964290

Reduced:

N4O5C29H29 (1)

Stoich.:

A4B5C29D29 (1)

Weight, g/mol:

350.098352

ΔHf, kcal/mol:

-101.51

Dipole, Da:

8.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.979717

Charge, e:

 0

Chem-info

IUPAC name:

15-ethyl-15-methyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,13(18)-triene-3-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1C=C2C(=NC3=C(C=CC=[N+]3C2=O)C)N(C1=NC(=O)/C=C/C4=CC=CC=C4)CC5CCCO5

DOS

IR

Vibrations