Geometry & MOs

Info

ID:

440363

PubChem CID:

135230322

Reduced:

O4N8C25H32 (1)

Stoich.:

A4B8C25D32 (1)

Weight, g/mol:

566.191166

ΔHf, kcal/mol:

-22.65

Dipole, Da:

6.17

IP(EA), eV:

 -8.46(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-3-[5-[6-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]pyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCOCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(OC5)CCOC

DOS

IR

Vibrations