Geometry & MOs

Info

ID:

379722

PubChem CID:

134461243

Reduced:

O3N7H21C23 (1)

Stoich.:

A3B7C21D23 (1)

Weight, g/mol:

515.170588

ΔHf, kcal/mol:

51.76

Dipole, Da:

6.49

IP(EA), eV:

 -9.03(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[5-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

COCCN1C=CN=C1C2=NN=C(O2)N[C@@H]3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

DOS

IR

Vibrations