Geometry & MOs

Info

ID:

427766

PubChem CID:

135162334

Reduced:

OF2N7C35H45 (1)

Stoich.:

AB2C7D35E45 (1)

Weight, g/mol:

574.309758

ΔHf, kcal/mol:

-45.42

Dipole, Da:

4.76

IP(EA), eV:

 -8.67(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-5-phosphanylpyridin-2-yl]-5-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C(C)C)/C=C(\C)/C2=C(C=NC(=C2)CCC3=NC=C(C=N3)CN4C5CCC4CC(C5)N6CCOCC6)F)C(=C)F

DOS

IR

Vibrations