Geometry & MOs

Info

ID:

437418

PubChem CID:

135226279

Reduced:

FO3N9C29H30 (1)

Stoich.:

AB3C9D29E30 (1)

Weight, g/mol:

602.231391

ΔHf, kcal/mol:

35.63

Dipole, Da:

10.47

IP(EA), eV:

 -8.98(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-2-phenyl-5-[6-(2H-tetrazol-5-yl)pyridin-3-yl]pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(N=N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=CC=C6)F)CCOC

DOS

IR

Vibrations