Geometry & MOs

Info

ID:

125446

PubChem CID:

50924601

Reduced:

F3O4N6H25C26 (1)

Stoich.:

A3B4C6D25E26 (1)

Weight, g/mol:

530.271548

ΔHf, kcal/mol:

-162.28

Dipole, Da:

8.45

IP(EA), eV:

 -9.12(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(4-tert-butylphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-N-cyclopropyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C[C@H](C2=CC=C(C=C2)C3=NOC(=N3)C4=C(N(N=C4)C5=CC=CC=N5)C(F)(F)F)O)CC(=O)O

DOS

IR

Vibrations