Geometry & MOs

Info

ID:

379723

PubChem CID:

134461255

Reduced:

O3N7H21C29 (1)

Stoich.:

A3B7C21D29 (1)

Weight, g/mol:

480.14585

ΔHf, kcal/mol:

119.95

Dipole, Da:

6.18

IP(EA), eV:

 -9.3(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C=CC(=C2)C#N)C3=NN=C(O3)N[C@@H]4C(=O)NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

DOS

IR

Vibrations