Geometry & MOs

Info

ID:

187079

PubChem CID:

77529260

Reduced:

ClO8C29H39 (1)

Stoich.:

AB8C29D39 (1)

Weight, g/mol:

513.219904

ΔHf, kcal/mol:

-309.18

Dipole, Da:

7.74

IP(EA), eV:

 -8.49(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(furan-3-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-hydroxy-1-(2-hydroxy-5-methylpiperidin-1-yl)butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)C=CC(=O)OCCOCC)OCCC2=CC(=C(C=C2)OCOCCOC)Cl

DOS

IR

Vibrations