Geometry & MOs

Info

ID:

379727

PubChem CID:

134461611

Reduced:

SO3N6H20C25 (1)

Stoich.:

AB3C6D20E25 (1)

Weight, g/mol:

569.145693

ΔHf, kcal/mol:

67.52

Dipole, Da:

8.75

IP(EA), eV:

 -9.06(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[5-[5-[[(3R)-oxan-3-yl]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

C1COCC=C1C2=C(N=CS2)C3=NN=C(O3)N[C@@H]4C(=O)NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

DOS

IR

Vibrations