Geometry & MOs

Info

ID:

423526

PubChem CID:

135119673

Reduced:

S3N6O7C33H48 (1)

Stoich.:

A3B6C7D33E48 (1)

Weight, g/mol:

343.180839

ΔHf, kcal/mol:

-292.73

Dipole, Da:

10.7

IP(EA), eV:

 -8.59(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-fluoro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)S(=O)(=O)C2=C(SC(=C2)C)C)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations