Geometry & MOs

Info

ID:

437205

PubChem CID:

135215899

Reduced:

SN2O3C19H24 (1)

Stoich.:

AB2C3D19E24 (1)

Weight, g/mol:

588.170843

ΔHf, kcal/mol:

-106.06

Dipole, Da:

5.83

IP(EA), eV:

 -9.79(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-[(methylideneamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC=C2)C(C)C

DOS

IR

Vibrations