Geometry & MOs

Info

ID:

378928

PubChem CID:

134228444

Reduced:

Cl2N11C29H37 (1)

Stoich.:

A2B11C29D37 (1)

Weight, g/mol:

517.272528

ΔHf, kcal/mol:

110.08

Dipole, Da:

9.46

IP(EA), eV:

 -8.81(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-4-fluoro-2-(1-hydroxyethyl)phenyl]-4-methyl-5H-tetrazol-5-ol

Drug info:

PubChemData

Smile

CC1(CC(CC2N1CCC2)(NC3=NC(=NC=C3C#N)Cl)NC4(C[C@H](C[C@@H]5N4CCC5)NC6=NC(=NC=C6C#N)Cl)C)C

DOS

IR

Vibrations