Geometry & MOs

Info

ID:

437469

PubChem CID:

135226394

Reduced:

FO3N11C32H36 (1)

Stoich.:

AB3C11D32E36 (1)

Weight, g/mol:

633.262357

ΔHf, kcal/mol:

42.73

Dipole, Da:

9.93

IP(EA), eV:

 -8.61(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCN(CC3)CC#N)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations