Geometry & MOs

Info

ID:

418698

PubChem CID:

135106579

Reduced:

O6N7C38H45 (1)

Stoich.:

A6B7C38D45 (1)

Weight, g/mol:

323.153286

ΔHf, kcal/mol:

-155.17

Dipole, Da:

6.71

IP(EA), eV:

 -9.18(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-fluoro-2-hydroxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CN=C(C=C3)C#N)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations