Geometry & MOs

Info

ID:

185139

PubChem CID:

77261130

Reduced:

O2N10C27H30 (1)

Stoich.:

A2B10C27D30 (1)

Weight, g/mol:

543.147093

ΔHf, kcal/mol:

67.22

Dipole, Da:

7.43

IP(EA), eV:

 -8.68(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[7-amino-3-[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(N2C(=C(C=N2)C3=CN=C(C=C3)C4CCCN4)N=C1C5CC6CCC(C5)N6C(=O)C7=NC=NN7)N

DOS

IR

Vibrations