Geometry & MOs

Info

ID:

184615

PubChem CID:

77183961

Reduced:

ON4C15H24 (1)

Stoich.:

AB4C15D24 (1)

Weight, g/mol:

742.310846

ΔHf, kcal/mol:

-10.77

Dipole, Da:

2.49

IP(EA), eV:

 -8.64(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[4-(ethylsulfonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl-methylcarbamic acid

Drug info:

PubChemData

Smile

CN1CCC(C(C1)C=CCOC)NC2=CC(=NC=C2)N

DOS

IR

Vibrations