Geometry & MOs

Info

ID:

440642

PubChem CID:

135230700

Reduced:

F3O4N7C30H30 (1)

Stoich.:

A3B4C7D30E30 (1)

Weight, g/mol:

663.218778

ΔHf, kcal/mol:

-145.41

Dipole, Da:

9.88

IP(EA), eV:

 -9.4(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(thiadiazol-4-ylmethyl)-1,2-oxazolidin-4-yl]-3-[5-[5-[hydroxy(methylamino)methyl]-1-methyl-6-oxopyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations