Geometry & MOs

Info

ID:

440592

PubChem CID:

135230589

Reduced:

F2O5N8H28C29 (1)

Stoich.:

A2B5C8D28E29 (1)

Weight, g/mol:

572.240813

ΔHf, kcal/mol:

-118.67

Dipole, Da:

11.5

IP(EA), eV:

 -8.95(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(NC(=O)CO3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)F)F)CCOC

DOS

IR

Vibrations