Geometry & MOs

Info

ID:

440249

PubChem CID:

135230180

Reduced:

F2O2S2N9H31C44 (1)

Stoich.:

A2B2C2D9E31F44 (1)

Weight, g/mol:

871.141391

ΔHf, kcal/mol:

101.64

Dipole, Da:

10.48

IP(EA), eV:

 -8.48(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[5-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-3-yl]-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-2,2-difluoro-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C(=O)NC2=CC=CC(=N2)CSC3=NC4=C(N3C5=CC=CC=N5)C=C(C=C4)C6=CC=CC(=N6)CSC7=NC8=CC=CC=C8N7C9=CC=CC=N9)(F)F

DOS

IR

Vibrations