Geometry & MOs

Info

ID:

377166

PubChem CID:

134223204

Reduced:

FON3C13H16 (2)

Stoich.:

ABC3D13E16 (2)

Weight, g/mol:

557.267442

ΔHf, kcal/mol:

-104.06

Dipole, Da:

6.87

IP(EA), eV:

 -8.73(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]-5-fluoropyrimidin-2-yl]amino]-4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CC1(CCC2N1CCC(C2)NC3=NC(=NC=C3F)NC4=C(C=C(C(=C4)C#N)OC5CCOCC5)F)C

DOS

IR

Vibrations