Geometry & MOs

Info

ID:

159506

PubChem CID:

57288275

Reduced:

FO3C27H45 (1)

Stoich.:

AB3C27D45 (1)

Weight, g/mol:

549.283886

ΔHf, kcal/mol:

-257.82

Dipole, Da:

2.67

IP(EA), eV:

 -9.32(1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7,7,9,9-tetramethyl-8-[2-(3-methylbenzoyl)oxyethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-methylbenzoate

Drug info:

PubChemData

Smile

C[C@H](CCC(C(C)(C)O)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C(C[C@@H](C4)O)O)C)C

DOS

IR

Vibrations