Geometry & MOs

Info

ID:

187605

PubChem CID:

77595948

Reduced:

ClNO4C31H38 (1)

Stoich.:

ABC4D31E38 (1)

Weight, g/mol:

903.533012

ΔHf, kcal/mol:

-175.49

Dipole, Da:

10.78

IP(EA), eV:

 -9.24(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[[4-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]propylamino]-2-methylbutan-2-yl] N-(2-phenylphenyl)carbamate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)OCC3CCCCC3)NCC(C4=CC=CC=C4)O.Cl

DOS

IR

Vibrations