Geometry & MOs

Info

ID:

80130

PubChem CID:

49833158

Reduced:

S2O5N8C19H20 (1)

Stoich.:

A2B5C8D19E20 (1)

Weight, g/mol:

435.136511

ΔHf, kcal/mol:

-13.94

Dipole, Da:

14.91

IP(EA), eV:

 -8.78(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CCCC2=[N+]1CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=CSC(=N5)N)SC3)C(=O)[O-]

DOS

IR

Vibrations