Geometry & MOs

Info

ID:

326303

PubChem CID:

126687300

Reduced:

FN2O2C22H27 (1)

Stoich.:

AB2C2D22E27 (1)

Weight, g/mol:

496.228253

ΔHf, kcal/mol:

-103.05

Dipole, Da:

2.14

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-3-[[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,3-dimethyl-2,4-dihydropyrimidin-6-yl]amino]-1-phosphanylcyclohexyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3)O)C4=NC(=C(C=C4)O)F

DOS

IR

Vibrations