Geometry & MOs

Info

ID:

446842

PubChem CID:

135278154

Reduced:

N3O6C24H29 (1)

Stoich.:

A3B6C24D29 (1)

Weight, g/mol:

680.272022

ΔHf, kcal/mol:

-226.0

Dipole, Da:

2.39

IP(EA), eV:

 -9.39(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)N)N1CC2=C(C1=O)C=CC=C2OCC3=CN=C(C=C3)CO

DOS

IR

Vibrations