Geometry & MOs

Info

ID:

186839

PubChem CID:

77492011

Reduced:

SN4O4C21H30 (2)

Stoich.:

AB4C4D21E30 (2)

Weight, g/mol:

514.159468

ΔHf, kcal/mol:

-300.14

Dipole, Da:

4.87

IP(EA), eV:

 -8.4(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-chloro-5-(1-hydroxypropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxy-1-methyl-3-bicyclo[3.1.0]hexanyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N(C(=N2)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)N(C)C)C(C)C)C6=NC(=CS6)C(C)C

DOS

IR

Vibrations