Geometry & MOs

Info

ID:

45049

PubChem CID:

10507488

Reduced:

N3O4C36H43 (1)

Stoich.:

A3B4C36D43 (1)

Weight, g/mol:

581.260446

ΔHf, kcal/mol:

-128.2

Dipole, Da:

4.92

IP(EA), eV:

 -9.23(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2,2,2-trifluoroacetyl)spiro[3,4-dihydro-1H-2-benzazepine-5,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/C(=O)NC4CCCC4

DOS

IR

Vibrations