Geometry & MOs

Info

ID:

437439

PubChem CID:

135226302

Reduced:

F2O4N9C29H31 (1)

Stoich.:

A2B4C9D29E31 (1)

Weight, g/mol:

618.251458

ΔHf, kcal/mol:

-64.92

Dipole, Da:

9.62

IP(EA), eV:

 -8.88(-0.82)

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-[5-(1,2-dimethyl-3-oxopyrazolo[3,4-b]pyridin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC(C3)O)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)F)F)CCOC

DOS

IR

Vibrations