Geometry & MOs

Info

ID:

379725

PubChem CID:

134461437

Reduced:

SF3O3N7H24C27 (1)

Stoich.:

AB3C3D7E24F27 (1)

Weight, g/mol:

569.145693

ΔHf, kcal/mol:

-114.14

Dipole, Da:

6.39

IP(EA), eV:

 -8.91(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[5-[5-[[1-(methoxymethyl)cyclopropyl]amino]-2-(trifluoromethyl)-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

COC[C@@H]1CCCN1C2=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