Geometry & MOs

Info

ID:

440459

PubChem CID:

135230436

Reduced:

FN3O3C15H19 (2)

Stoich.:

AB3C3D15E19 (2)

Weight, g/mol:

634.0208

ΔHf, kcal/mol:

-223.13

Dipole, Da:

6.55

IP(EA), eV:

 -8.72(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CN(CCO2)C(=O)C)C3=CC=CC=C3)NC(N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC)O

DOS

IR

Vibrations