Geometry & MOs

Info

ID:

82475

PubChem CID:

49856079

Reduced:

S2F3N3O7H22C30 (1)

Stoich.:

A2B3C3D7E22F30 (1)

Weight, g/mol:

514.201417

ΔHf, kcal/mol:

-235.99

Dipole, Da:

14.48

IP(EA), eV:

 -9.63(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methyl-5-phenyl-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

CC(C)C1=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(F)(F)F)/O

DOS

IR

Vibrations