Geometry & MOs

Info

ID:

223758

PubChem CID:

85335533

Reduced:

OCl2N6C28H30 (1)

Stoich.:

AB2C6D28E30 (1)

Weight, g/mol:

537.283886

ΔHf, kcal/mol:

53.05

Dipole, Da:

4.56

IP(EA), eV:

 -8.17(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl N-[3-hydroxy-4-[(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)N(CC3CC3CNC(=O)C4=C(C=NC=C4Cl)Cl)CC5NC6=CC=CC=C6N5

DOS

IR

Vibrations