Geometry & MOs

Info

ID:

379726

PubChem CID:

134461566

Reduced:

SF3O3N7H22C26 (1)

Stoich.:

AB3C3D7E22F26 (1)

Weight, g/mol:

484.13176

ΔHf, kcal/mol:

-83.33

Dipole, Da:

13.96

IP(EA), eV:

 -9.03(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[5-[5-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

COCC1(CC1)NC2=C(N=C(S2)C(F)(F)F)C3=NN=C(O3)N[C@@H]4C(=O)NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

DOS

IR

Vibrations