Geometry & MOs

Info

ID:

440248

PubChem CID:

135230179

Reduced:

S2O4N15H29C34 (1)

Stoich.:

A2B4C15D29E34 (1)

Weight, g/mol:

819.20102

ΔHf, kcal/mol:

171.23

Dipole, Da:

10.23

IP(EA), eV:

 -8.88(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-2-phenoxy-N-[6-[[1-pyridin-2-yl-6-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)NC(=O)OCCC5=CC6=C(C=C5)N=C(N6C7=NN=NN7C)SCC8=NC(=CC=C8)C(=O)O

DOS

IR

Vibrations