Geometry & MOs

Info

ID:

443482

PubChem CID:

135259167

Reduced:

SO3N6C34H50 (1)

Stoich.:

AB3C6D34E50 (1)

Weight, g/mol:

523.16428

ΔHf, kcal/mol:

-107.61

Dipole, Da:

6.27

IP(EA), eV:

 -8.85(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-hydroxy-8-methyl-6-[(5-methylquinazolin-4-yl)amino]-1'-(1,1,2,2,2-pentafluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CCC(C)C1(CCCCC1)NC(=O)/C(=C(\C)/C=C(\C(=O)C)/NC2=C3C(=C(SC3=NC=N2)C(=O)N4CCC(CC4)N(C)C)C)/C

DOS

IR

Vibrations