Geometry & MOs

Info

ID:

422941

PubChem CID:

135118659

Reduced:

O3N4C18H23 (2)

Stoich.:

A3B4C18D23 (2)

Weight, g/mol:

394.165935

ΔHf, kcal/mol:

-183.87

Dipole, Da:

13.34

IP(EA), eV:

 -9.19(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-9-(2-chloro-5-methylbenzoyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)CN3C=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations