Geometry & MOs

Info

ID:

190257

PubChem CID:

77978235

Reduced:

N5O7C21H35 (1)

Stoich.:

A5B7C21D35 (1)

Weight, g/mol:

608.224027

ΔHf, kcal/mol:

-276.23

Dipole, Da:

2.73

IP(EA), eV:

 -9.73(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C2=NN=C(O2)C(CO)(CO)CO)N

DOS

IR

Vibrations