Geometry & MOs

Info

ID:

440634

PubChem CID:

135230660

Reduced:

FO6N8C34H39 (1)

Stoich.:

AB6C8D34E39 (1)

Weight, g/mol:

545.238667

ΔHf, kcal/mol:

-157.5

Dipole, Da:

13.91

IP(EA), eV:

 -8.88(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-2-(furan-2-ylmethyl)-5-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(=O)NC3CCOCC3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations