Geometry & MOs

Info

ID:

397537

PubChem CID:

135030356

Reduced:

O2N3C27H29 (3)

Stoich.:

A2B3C27D29 (3)

Weight, g/mol:

293.106336

ΔHf, kcal/mol:

-79.69

Dipole, Da:

6.06

IP(EA), eV:

 -8.45(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (8R)-8-fluoro-8-formyl-2-oxa-5-azaspiro[3.4]octane-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1CN2C=C(CC(=C2)C(=O)N[C@H](C)C3=CC=CC=C3)C(=O)N[C@H](C)C4=CC=CC=C4)C)CN5C=C(CC(=C5)C(=O)N[C@H](C)C6=CC=CC=C6)C(=O)N[C@H](C)C7=CC=CC=C7)C)CN8C=C(CC(=C8)C(=O)N[C@H](C)C9=CC=CC=C9)C(=O)N[C@H](C)C1=CC=CC=C1

DOS

IR

Vibrations