Geometry & MOs

Info

ID:

437508

PubChem CID:

135226433

Reduced:

O3F4N9C28H29 (1)

Stoich.:

A3B4C9D28E29 (1)

Weight, g/mol:

644.334713

ΔHf, kcal/mol:

-157.75

Dipole, Da:

10.12

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)NCC(F)(F)F)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations