Geometry & MOs

Info

ID:

440556

PubChem CID:

135230553

Reduced:

FO4N8C31H35 (1)

Stoich.:

AB4C8D31E35 (1)

Weight, g/mol:

628.29218

ΔHf, kcal/mol:

-63.04

Dipole, Da:

7.9

IP(EA), eV:

 -9.24(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=C(C=C1C)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations