Geometry & MOs

Info

ID:

82323

PubChem CID:

49855891

Reduced:

S2N4O8H22C29 (1)

Stoich.:

A2B4C8D22E29 (1)

Weight, g/mol:

532.191995

ΔHf, kcal/mol:

-107.71

Dipole, Da:

11.41

IP(EA), eV:

 -9.54(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[9-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-8-azaspiro[4.5]decan-8-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)C(=O)NC)/O

DOS

IR

Vibrations