Geometry & MOs

Info

ID:

440428

PubChem CID:

135230405

Reduced:

F2O3N8C30H32 (1)

Stoich.:

A2B3C8D30E32 (1)

Weight, g/mol:

514.08057

ΔHf, kcal/mol:

-37.2

Dipole, Da:

3.95

IP(EA), eV:

 -8.76(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN=C(N=C5)N6CC(C6)OC)C

DOS

IR

Vibrations