Geometry & MOs

Info

ID:

437426

PubChem CID:

135226289

Reduced:

SF2O6N7C30H33 (1)

Stoich.:

AB2C6D7E30F33 (1)

Weight, g/mol:

624.233031

ΔHf, kcal/mol:

-191.81

Dipole, Da:

13.89

IP(EA), eV:

 -9.38(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)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(=O)C(=C2)S(=O)(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations