Geometry & MOs

Info

ID:

445414

PubChem CID:

135266926

Reduced:

ClSN6H11C13 (1)

Stoich.:

ABC6D11E13 (1)

Weight, g/mol:

707.214265

ΔHf, kcal/mol:

109.23

Dipole, Da:

4.44

IP(EA), eV:

 -8.33(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S)-1-[[2-[[(5Z)-5-(1-amino-2,2,2-trifluoroethylidene)-2,2-difluorocyclopentylidene]amino]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CSC2=CC(=NC(=C2N=N)N)N)C#N

DOS

IR

Vibrations