Geometry & MOs

Info

ID:

186950

PubChem CID:

77508158

Reduced:

N4O5C25H36 (1)

Stoich.:

A4B5C25D36 (1)

Weight, g/mol:

511.19733

ΔHf, kcal/mol:

-204.93

Dipole, Da:

6.89

IP(EA), eV:

 -8.49(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-amino-4-[2-tert-butyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5-fluoro-6-hydroxypiperidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC(C(=O)N3CC(C4C3C(=O)CO4)O)C(C)(C)C

DOS

IR

Vibrations