Geometry & MOs

Info

ID:

377169

PubChem CID:

134223207

Reduced:

F2N9C26H33 (1)

Stoich.:

A2B9C26D33 (1)

Weight, g/mol:

486.231016

ΔHf, kcal/mol:

38.68

Dipole, Da:

9.42

IP(EA), eV:

 -8.83(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-2-N-[3-chloro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1C2CCCN2C(CC1NC3=NC(=NC=C3F)NC4=C(C=C(C(=C4)N5C(=NN=N5)C)C6CC6)F)(C)C

DOS

IR

Vibrations